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2-Phenylmethanesulfinyl-4,6-bis-(2,2,2-trifluoro-ethoxy)-benzonitrile
SpectraBase Compound ID 33AzghOsmYU
InChI InChI=1S/C18H13F6NO3S/c19-17(20,21)10-27-13-6-15(28-11-18(22,23)24)14(8-25)16(7-13)29(26)9-12-4-2-1-3-5-12/h1-7H,9-11H2
InChIKey CHYVJKLOASUBGI-UHFFFAOYSA-N
Mol Weight 437.36 g/mol
Molecular Formula C18H13F6NO3S
Exact Mass 437.052033 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FJSph9o4jGC
Name 2-Phenylmethanesulfinyl-4,6-bis-(2,2,2-trifluoro-ethoxy)-benzonitrile
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Formula C18H13F6NO3S
InChI InChI=1S/C18H13F6NO3S/c19-17(20,21)10-27-13-6-15(28-11-18(22,23)24)14(8-25)16(7-13)29(26)9-12-4-2-1-3-5-12/h1-7H,9-11H2
InChIKey CHYVJKLOASUBGI-UHFFFAOYSA-N
Molecular Weight 437.356 g/mol
SMILES c1(c(S(Cc2ccccc2)=O)cc(cc1OCC(F)(F)F)OCC(F)(F)F)C#N
SPLASH splash10-0006-9001000000-b652d702feba02939873
Source of Spectrum H1-68-1116-9
Synonyms 2-(benzylsulfinyl)-4,6-bis(2,2,2-trifluoroethoxy)benzonitrile 2-Benzylsulfinyl-2,4-bis(2,2,2-trifluoroethoxy)benzonitrile
Wiley ID 1593549