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

*Links on SpectraBase are not permalinks.

Phenyl trifluoromethyl sulfide

View entire compound with spectra: 8 NMR, 2 FTIR, 1 Raman, and 2 MS (GC)

Phenyl trifluoromethyl sulfide
SpectraBase Compound ID 9aiIKPamWq7
InChI InChI=1S/C7H5F3S/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5H
InChIKey YQQKTCBMKQQOSM-UHFFFAOYSA-N
Mol Weight 178.17 g/mol
Molecular Formula C7H5F3S
Exact Mass 178.006406 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID Dny5CUQTfOU
Name PHENYL-TRIFLUOROMETHYL-SULFIDE
Compound Number 5F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H5F3S
InChI InChI=1S/C7H5F3S/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5H
InChIKey YQQKTCBMKQQOSM-UHFFFAOYSA-N
Literature Reference Author T.BILLARD,N.ROQUES,B.R.LANGLOIS
Literature Reference Citation J.ORG.CHEM.,64,3813(1999)
Literature Reference DOI 10.1021/jo980649a
Molecular Weight 178.172 g/mol
Sample ID 59402
Solvent CDCl3