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Benzonitrile, 3-(2-chlorobenzylthio)-2,6-bis(2,2,2-trifluoroethoxy)-
SpectraBase Compound ID 52gKxNNOlIY
InChI InChI=1S/C18H12ClF6NO2S/c19-13-4-2-1-3-11(13)8-29-15-6-5-14(27-9-17(20,21)22)12(7-26)16(15)28-10-18(23,24)25/h1-6H,8-10H2
InChIKey WGFUXHOPQXASNC-UHFFFAOYSA-N
Mol Weight 455.8 g/mol
Molecular Formula C18H12ClF6NO2S
Exact Mass 455.018146 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IB7NRlwd8Og
Name Benzonitrile, 3-(2-chlorobenzylthio)-2,6-bis(2,2,2-trifluoroethoxy)-
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Formula C18H12ClF6NO2S
InChI InChI=1S/C18H12ClF6NO2S/c19-13-4-2-1-3-11(13)8-29-15-6-5-14(27-9-17(20,21)22)12(7-26)16(15)28-10-18(23,24)25/h1-6H,8-10H2
InChIKey WGFUXHOPQXASNC-UHFFFAOYSA-N
Molecular Weight 455.802 g/mol
SMILES c1(c(c(ccc1SCc1c(cccc1)Cl)OCC(F)(F)F)C#N)OCC(F)(F)F
SPLASH splash10-004i-3900000000-34cc63527823bfea8ca3
Source of Spectrum AD-0-2532-0
Synonyms 3-[(2-Chlorobenzyl)sulfanyl]-2,6-bis(2,2,2-trifluoroethoxy)benzonitrile 3-[(2-chlorobenzyl)thio]-2,6-bis(2,2,2-trifluoroethoxy)benzonitrile 3-[(2-chlorophenyl)methylsulfanyl]-2,6-bis(2,2,2-trifluoroethoxy)benzonitrile 3-[(2-chlorophenyl)methylsulfanyl]-2,6-bis[2,2,2-tris(fluoranyl)ethoxy]benzenecarbonitrile 3-[(2-chlorophenyl)methylthio]-2,6-bis(2,2,2-trifluoroethoxy)benzonitrile
Wiley ID 1425750