For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4,4,4-Trifluoro-3-(4-(methylthio)phenyl)butanenitrile
SpectraBase Compound ID FArpK7bGpvW
InChI InChI=1S/C11H10F3NS/c1-16-9-4-2-8(3-5-9)10(6-7-15)11(12,13)14/h2-5,10H,6H2,1H3
InChIKey ATKFRFYOTQYAAG-UHFFFAOYSA-N
Mol Weight 245.26 g/mol
Molecular Formula C11H10F3NS
Exact Mass 245.048605 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KosikmMhZ9y
Name 4,4,4-Trifluoro-3-(4-(methylthio)phenyl)butanenitrile
Appearance Brown oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H10F3NS
InChI InChI=1S/C11H10F3NS/c1-16-9-4-2-8(3-5-9)10(6-7-15)11(12,13)14/h2-5,10H,6H2,1H3
InChIKey ATKFRFYOTQYAAG-UHFFFAOYSA-N
Instrument Name HRMS
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c01988
Molecular Weight 245.263 g/mol
Reported Formula C11H10F3NS
SMILES c1c(ccc(C(CC#N)C(F)(F)F)c1)SC
SPLASH splash10-0a4i-0190000000-e3e2799f037266de1a11
Source of Spectrum A1-23-SM53-2o
Wiley ID 1870243