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2-(Benzylsulfanyl)-4,6-bis(2,2,2-trifluoroethoxy)benzonitrile
SpectraBase Compound ID Fu7mIYKLGGo
InChI InChI=1S/C18H13F6NO2S/c19-17(20,21)10-26-13-6-15(27-11-18(22,23)24)14(8-25)16(7-13)28-9-12-4-2-1-3-5-12/h1-7H,9-11H2
InChIKey ARQMUEIQPYTDFF-UHFFFAOYSA-N
Mol Weight 421.36 g/mol
Molecular Formula C18H13F6NO2S
Exact Mass 421.057119 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2yTOD7ntIjD
Name 2-(benzylsulfanyl)-4,6-bis(2,2,2-trifluoroethoxy)benzonitrile
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13F6NO2S
InChI InChI=1S/C18H13F6NO2S/c19-17(20,21)10-26-13-6-15(27-11-18(22,23)24)14(8-25)16(7-13)28-9-12-4-2-1-3-5-12/h1-7H,9-11H2
InChIKey ARQMUEIQPYTDFF-UHFFFAOYSA-N
Molecular Weight 421.357 g/mol
SMILES c1(c(cc(cc1OCC(F)(F)F)OCC(F)(F)F)SCc1ccccc1)C#N
SPLASH splash10-0006-9000100000-a0801dfa8e36e9b581ab
Source of Spectrum H1-68-1114-5
Synonyms 2-Benzylthio-2,4-bis(2,2,2-trifluoroethoxy)benzonitrile
Wiley ID 1593554