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Alcohols, ethers and other oxygenated hydrocarbons

IR UV/Vis Common Name Formula
    Formaldehyde H2CO
    Methanol CH3OH
    Acetone (CH3)2C=O
    Acetaldehyde CH3CH=O
    1-Penten-3-ol CH2=CHCHOHCH2CH3
    2,3-Dimethylfuran C4OH2(CH3)2(1,2)
    2,5-Dimethylfuran C4OH2(CH3)2(1,3)
    3,3-Dimethyl-2-pentanol CH(CH3)(OH)C(CH3)2CH2CH3
    4-Methylvaleric acid CH(CH3)2CH2CH2C=OOH
    4-Penten-1-ol CH2=CHCH2CH2CH2OH
    Acetic acid CH3C=OOH
    Acrolein O=CHCH=CH2
    Benzaldehyde C6H5CH=O
    Benzyl alcohol C6H5CH2OH
    Dimethyl ether O(CH3)2
    Ethyl formate O=CHOCH2CH3
    Ethylvinyl ether CH2=CHOCH2CH3)
    Formic acid, dimer O=CHOH
    Furan C4H4O
    Furfuryl alcohol C4H3OCH2OH
    Isophorone (CH3)2CH3C6H5=O
    Limonene oxide C=CH2CH3C6H8OCH3
    m-Cresol C6H4OHCH3
    Menthol C6H9CH3OHCH(CH3)2
    Methyl 2-methylbutyrate CH3OC=OCH(CH3)CH2CH3
    Methyl butyl ether CH3O(CH2)3CH3
    Methyl isoamyl ketone CH3C=O(CH2)2CH(CH3)2
    Methyl methacrylate CH3OC=OC=CH2CH3
    Methyl nitrite O=NOCH3
    Methyl pivalate (CH3)3CC=OOCH3
    Methyl propionate CH3OC=OCH2CH3
    Methyl salicylate OHC6H4C=OOCH3
    Methyl vinyl ether CH2=CHOCH3
    Nitrobenzene C6H5NO2
    Propionaldehyde CH3CH2CH=O
    2,3-Butanedione (CH3C=O)2
    Syringol C6H3OH(OCH3)2
    2-Hexanol CHOHCH3(CH2)3CH3
    2-Methylfuran CH3C4H3O
    2-Nonanone CH3C=O(CH2)6CH3
    2-Pentylfuran C4H3O(CH2)4CH3
    3-Methoxyphenol OHC6H4OCH3
    3-methylfuran OC4H3CH3
    3-Pentanol OH(CH2CH3)2
    4-Methyl-1-pentanol (CH3)2CH(CH2)3OH
    5-Nonanol OHCH((CH2)3CH3)2
    Acetol CH3=OCH2OH
    Acrylic acid OHC=OCH=CH2
    Cineole OC5H5(CH2)2CH3(CH3)2
    Diacetone alcohol CH3C=OCH2COH(CH3)2
    Ethyl acetate CH3C=OOCH2CH3
    Ethyl acrylate CH2=CHC=OOCH2CH3
    Ethanol CH3CH2OH
    Ethyl benzoate C6H5C=OOCH2CH3
    Furfural OC4H3CH=O
    Geraniol (CH3)2C=CH(CH2)2C(CH3)=CHCH2OH
    Glycoaldehyde OHCH2CH=O
    Glyoxal O=CHCH=O
    Guaiacol C6H4OHOCH3
    Hexyl acetate CH3C=OO(CH2)5CH3
    Isobutyric acid (CH3)2CHC=OOH
    Isopentyl acetate (CH3)2(CH2)2OC=OCH3
    Isovaleraldehyde (CH3)2CHCH2CH=O
    Methyl acetoacetate CH3C=OCH2C=OOCH3
    2-​Pentanone CH3C=O(CH2)2CH3
    2-Butanone CH3C=OCH2CH3
    Methylglyoxal CH3C=OCH=O
    Octanoic acid OHC=O(CH2)6CH3
    Phenol C6H5OH
    Propylene carbonate O2C3H3=OCH3
    Crotonaldehyde CH3CH=CHCH=O
    Valeraldehyde CH3(CH2)3CH=O
    Valeric acid OHC=O(CH2)3CH3

Bromocarbons, Hydrobromocarbons, and Halons

IR UV/Vis Common Name Formula
    Bromine Nitrate BrON=O=O
    Bromochloromethane CH2BrCl
    Tribromomethane CHBr3
    1,2-Dibromoethane (CH2Br)2
    Halon-1201 CHBrF2
    Halon-1202 CBr2F2
    Halon-2311 CH(BrCl)C(F3)
    Halon-1211 CBrClF2
    CFC-13B1 CBrF3
    Halon-2402 (CBrF2)2
    Dibromomethane CH2Br2

Chlorocarbons and Hydrochlorocarbons

IR UV/Vis Common Name Formula
    CFC-10 CCl4
    1,1,1,2-Tetrachloroethane CCl3CH2Cl
    1,1,2,2-Tetrachloroethane CHCl2CHCl2
    1,1-Dichloroethane CH(Cl2)CH3
    1,2-Dichloropropane ClCH2CHClCH3
    1,2-Dichlorobenzene C6H4Cl2
    1,3-Dichlorobenzene C6H4C2
    1,3-Dichloropropane Cl(CH2)3Cl
    1,4-Dichlorobenzene C6H4C2
    Chlorobenzene C6H5Cl
    Chloroethane ClCH2CH3
    cis-1,3-Dichloropropene ClCH(Z)=CHCH2Cl
    Hexachloro-1,3-butadiene C(Cl2)=C(Cl)C(Cl)=C(Cl2)
    trans-1,2-Dichloroethene ClCH=CHCl
    trans-1,3-Dichloropropene ClCH=CHCH2Cl
    Vinyl chloride CH2=CHCl
    1,1,1-Trichloroethane CH3CCl3
    1,1,2-Trichloroethane Cl2CHCH2Cl
    1,2-Dichloroethane CH2ClCH2Cl
    Chloroform CHCl3
    Dichloromethane CH2Cl2
    Tetrachloroethene Cl2C=CCl2
    Trichloroethene Cl2C=CHCl

Chlorofluorocarbons (CFCs)

IR UV/Vis Common Name Formula
    CFC-11 CCl3F
    CFC-13 CClF3
    CFC-113 CCl2FCClF2
    CFC-114 CF2ClCF2Cl
    CFC-115 CF3CF2Cl
    CFC-12 CCl2F2
    CFC-113a C(Cl3)C(F3)
    CFC-114a C(Cl2F)C(F3)
    C-56 C5Cl6
    CFC-112a CF2ClCCl3
    CFC-112 (CCl2F)2

Fully Fluorinated Species

IR UV/Vis Common Name Formula
    Sulfur Hexafluoride SF6
    PFC-14 CF4
    Nitrogen trifluoride NF3
    PFC-116 CF3CF3
    E-C10F18 FC(CF2)4CF(CF2)4
    Hexafluorobenzene C6F6
    Perfluorobut-1-ene CF3CF2CF=CF2
    Perfluorobuta-1,3-diene CF2=CFCF=CF2
    PFC-1114 CF2=CF2
    PFC-51-14 CF3(CF2)4CF3
    PFC-71-18 CF3(CF2)6CF3
    Perfluorodecalin (C5F9)2
    Perfluorotributylamine N(CF2)9(CF3)3
    Perfluorodecalin (cis) (C5F9)2
    PFC-1216 CF3CF=CF2
    PFC-218 CF3CF2CF3
    PFC-31-10 (CF3CF2)2
    PFC-318 (CF2)4
    PFC-41-12 CF3(CF2)3CF3
    Sulfuryl fluoride (S=OF)2

Halogenated Alcohols and Ethers

IR UV/Vis Common Name Formula
    1,1,1,3,3,3-Hexafluoropropan-2-ol (CF3)2CHOH
    Ethane, 1,​1,​2,​2-​tetrafluoro-​1,​2-​dimethoxy- CH3OCF2CF2OCH3
    1,1,2,2-Tetrafluoro-3-methoxy-propane CHF2CF2CH2OCH3
    1,1,2-Trifluoro-2-(trifluoromethoxy)-ethane CHF2CHFOCF3
    1-Ethoxy-1,1,2,3,3,3-hexafluoropropane CF3CHFCF2OCH2CH3
    2-(Perfluoroheptyl)ethanol CF3(CF2)6CH2CH2OH
    2-(Perfluorononyl)ethanol CF3(CF2)8CH2CH2OH
    Trifluoroacetaldehyde CF3CHO
    (Perfluoropropyl)methanol CF3(CF2)CH2OH
    1-​Propanol, 2,​2,​3,​3-​tetrafluoro- CHF2CF2CH2OH
    1-​Butanol, 2,​2,​3,​4,​4,​4-​hexafluoro- CF3CHFCF2CH2OH
    2,2-Difluoroethanol CHF2CH2OH
    3,3,3-Trifluoro-propanal CF3CH2CH=O
    3,3,4,4,5,5,6,6,7,7,7-Undecafluoroheptan-1-ol CF3(CF2)4CH2CH2OH
    Allyl 2,2,2-trifluoroacetate C(F3)C=OOCH2CH=CH2
    bis(2-Chloroethyl) ether ClCH2CH2OCH2CH2Cl
    3,3,3-Trifluoropropan-1-ol C(F3)CH2CH2OH
    Chloroacetone ClCH2C=OCH3
    Chloromethanol ClCH2OH
    Dichloromethanol CHCl2OH
    Ethyl 2,2,2-trifluoroacetate CF3C=OOCH2CH3
    Fluoroether E-1 C(F3)C(F2)C(F2)OCH(F)C(F3)
    HCFE-235ca2 CHF2OCF2CHFCl
    HCFE-235da2 CH(F2)OCH(Cl)CF3
    Heptafluorobutyraldehyde CF3(CF2)2CH=O
    HFE-125 CHF2OCF3
    HFE-143a CH3OCF3
    HFE-216 CF3OCF=CF2
    HFE-227ea CF3CHFOCF3
    HFE-236ea2 CHF2OCHFCF3
    HFE-245fa2 CHF2OCH2CF3
    HFE-263fb1 CF3CH2OCH3
    HFE-263m1 CF3OCH2CH3
    HFE-329me3 CF3CHFCF2OCF3
    HFE-338mec3 CF3CHFCF2OCHF2
    HFE-347mcc3 CH3OCF2CF2CF3
    HFE-347mmz1 (CF3)2CHOCH2F
    HFE-356mff2 CF3CH2OCH2CF3
    HFE-356mmz1 (CF3)2CHOCH3
    HFE-365mcf3 CF3CF2CH2OCH3
    HFC-7100 CF3CF2CF2CF2OCH3
    HFE-449s1 CF3CF2CF2CF2OCH2CH3
    HFE-7300 CH3OC(F)(CF2CF3)C(F)(CF3)2
    HFE-7500 CH3CH2O(CF2)2(CF3)C(F)C(F)(CF3)2
    HG-02 CH3O(CF2CF2O)2CH3
    HG-03 CH3O(CF2CF2O)3CH3
    HG-01 CHF2OCF2CF2OCHF2
    HG-10 CHF2OCF2OCHF2
    HG-11 CHF2OCF2OCF2CF2OCHF2
    i-HFE-7100 CH3OCF2C(F)(CF3)2
    i-HFE-7200 CH3CH2OCF2C(F)(CF3)2
    HFC-7100 CH3O(CF2)2CF3
    Nonafluoropentanal CF3(CF2)3CH=O
    Pentafluoropropionaldehyde CF3CF2CH=O
    Perfluoro-2-methyl-3-pentanone CF3CF2C=(O)CF(CF3)2
    Perfluoropolymethylisopropyl CF3OCF(CF3)CF2OCF2OCF3
    Trichloromethanol CCl3OH
    Trifluoroacetic acid OHC=OCF3
    Vinyl 2,2,2-trifluoroacetate CF3C=OOCH=CH2
    2,2,2-Trifluoroethanol CF3CH2OH
    2-Fluoroethanol CH2FCH2OH
    1,1-Dihydroperfluoropropanol CF3CF2CH2OH

Hydrocarbons

IR UV/Vis Common Name Formula
    Ethane C2H6
    Benzene C6H6
    Toluene C6H5CH3
    o-Xylene o-C6H4(CH3)2
    m-Xylene m-C6H4(CH3)2
    p-Xylene p-C6H4(CH3)2
    Propane CH3CH2CH3
    1-Butene CH3CH2CH=CH2
    1-Nonene CH3(CH2)6CH=CH2
    2-Ethyltoluene CH3C6H4CH2CH3
    4-Ethyltoluene C6H4(CH3)CH2CH3
    alpha-Pinene (1S)(-) C6H5=CH3(CH3)2CH2(1,5)
    beta-Pinene (1S) (-) C6H6(CH3)2(1,5)=CH2
    D-Limonene CH3C6H8C=CH2CH3
    DL-Limonene CH3C6H8C=CH2(CH3)
    Isobutane CH(CH3)3
    Isobutene (CH3)2C=CH2
    Isopentane (CH3)2CHCH2CH3
    Isoprene CH3C=CH2CH=CH2
    Heptane CH3(CH2)5CH3
    Hexane CH3(CH2)4CH3
    Naphthalene (C6H4)2
    Octane CH3(CH2)6CH3
    Pentane CH3(CH2)3CH3
    Styrene C6H5CH=CH2
    1,3-Butadiene (CH2=CH)2
    2-Carene C6H5CH3C(CH3)2
    3-Carene CH3C6H5C(CH3)2
    Myrcene (CH3)2C=CH(CH2)2C(=CH2)CH=CH2
    Butane (CH3CH2)2
    Hexadecane CH3(CH2)14CH3
    Pentadecane CH3(CH2)13CH3
    Vinyl toluene CH2=CHC6H4CH3
    Propene C3H6

Hydrochlorofluorocarbons (HCFCs)

IR UV/Vis Common Name Formula
    HCFC-21 CHCl2F
    HCFC-22 CHClF2
    HCFC-123 CHCl2CF3
    HCFC-124 CHClFCF3
    HCFC-141b CH3CCl2F
    HCFC-142b CH3CClF2
    HCFC-225ca CHCl2CF2CF3
    HCFC-225cb CClF2CF2CHClF
    HCFO-1233zd trans-CF3CH=CHCl
    HCFC-132 CH(ClF)CH(ClF)
    HCFC-121 CH(Cl2)C(Cl2F)
    HCFC-123a CHClFCF2Cl
    HCFC-124a F2CHCF2Cl
    HCFC-132a F2CHCHCl2
    HCFC-141 CHFClCH2Cl
    1,2-Dichloroethane CH2ClCH2Cl
    HCFC-133a ClCH2CF3

Hydrofluorocarbons (HFCs)

IR UV/Vis Common Name Formula
    Methyl fluoride CH3F
    HFC-32 FCH2F
    HFC-125 CHF2CF3
    HFC-134 CHF2CHF2
    HFC-134a CFH2CF3
    HFC-143a CF3CH3
    HFC-152a CH3CHF2
    HFC-23 CHF3
    (E)-HFC-1225ye CF3CF=CHF(E)
    (Perfluoro-n-butyl)ethylene CF3(CF2)3CH=CH2
    (Perfluoro-n-octyl)ethylene CF3(CF2)7CH=CH2
    (Z)-HFC-1225ye CF3CF=CHF(Z)
    (Z)-HFC-1234ze CF3CH=CHF(Z)
    HFC-1141 CH2=CHF
    HFC-1234yf CF3CF=CH2
    HFC-1345zfc CF3CF2CH=CH2
    HFC-143 CH2FCHF2
    HFC-152 CH2FCH2F
    HFC-161 CH3CH2F
    HFC-227ca CF3CF2CHF2
    HFC-236cb CH2FCF2CF3
    HFC-236fa CF3CH2CF3
    HFC-245cb CF3CF2CH3
    HFC-245fa CHF2CH2CF3
    HFC-272ca CF2(CH3)2
    HFC-329p CHF2(CF2)2CF3
    HFC-365mfc CH3CF2CH2CF3
    HFC-43-10-mee CF3CHFCHFCF2CF3
    (Perfluorohexyl)ethylene CF3(CF2)5CH=CH2
    HFC-1243zf CF3CH=CH2
    HFC-227ea CF3CHFCF3

Iodocarbons and hydroiodocarbons

IR UV/Vis Common Name Formula
    Methyl iodide CH3I
    Diiodomethane ICH2I
    Iodoethane ICH2CH3

Nitriles, amines and other nitrogenated hydrocarbons

IR UV/Vis Common Name Formula
    Acetonitrile CH3CN
    Nitrogen trifluoride NF3
    Peroxyacetal Nitrate CH3C=OOONO2
    Diethylamine CH3CH2NHCH2CH3
    Diisopropylamine NH(CH(CH3)2)2
    Dimethylamine NH(CH3)2
    Ethylamine NH2CH2CH3)
    Ethylenediamine (NH2)2(CH2)2)
    Hydrazine NH2NH2
    Isocyanic acid NH=C=O
    Isopropylamine NH2CH(CH3)2
    Methyl isothiocyanate CH3N=C=S
    Methyl nitrite O=NOCH3
    N,N-Diethylaniline C6H5N(CH2)2(CH3)2
    n-Butylamine NH2(CH2)3CH3
    Nitrobenzene C6H5NO2
    Nitrous acid O=NOH
    o-Toluidine C6H4NH2CH3
    Piperidine C5H10NH
    Propylenimine NHCH2CHCH3
    sec-Amylamine CHCH3NH2(CH2)2CH3
    Triethylamine N(CH2CH3)3
    Trimethylamine N(CH3)3
    2-Vinylpyridine C5H4NCH=CH2
    Acrylonitrile CH2=CHCN
    Diethylformamide N(CH2CH3)2CH=O

Other molecules

IR UV/Vis Common Name Formula
    Ozone O3
    Nitrogen oxide N2O
    Nitrogen Dioxide NO2
    Chlorine Nitrate ClONO2
    Dinitrogen Pentoxide O2NONO2
    Peroxynitric Acid O=N=OOOH
    Bromine Monoxide BrO
    Nitrate radical O=N=OO
    Chlorine dioxide ClO2
    Chlorine Peroxide ClOOCl

Sulfur-containing species

IR UV/Vis Common Name Formula
    Sulfur Dioxide SO2
    Sulfur Hexafluoride SF6
    Carbon disulfide CS2
    Trifluoromethyl Sulfur Pentafluoride SF5CF3
    Dimethyl disulfide S2(CH3)2
    Dimethyl sulfate O=S=O(O2)(CH3)2
    Dimethyl sulfide S(CH3)2
    Dimethyl sulfoxide S=O(CH3)2
    Methyl isothiocyanate CH3N=C=S
    Methanethiol CH3SH
    Sulfuryl fluoride (S=OF)2