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

*Links on SpectraBase are not permalinks.
(3-Iodo-[1,1'-biphenyl]-4-yl)(trifluoromethyl)sulfane
SpectraBase Compound ID HriTVDYYGTH
InChI InChI=1S/C13H8F3IS/c14-13(15,16)18-12-7-6-10(8-11(12)17)9-4-2-1-3-5-9/h1-8H
InChIKey ZKCAYNSYTJTEQC-UHFFFAOYSA-N
Mol Weight 380.17 g/mol
Molecular Formula C13H8F3IS
Exact Mass 379.934351 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 Gfl65LiuSY5
Name (3-Iodo-[1,1'-biphenyl]-4-yl)(trifluoromethyl)sulfane
Appearance Yellow liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 379.934350921 u
Formula C13H8F3IS
InChI InChI=1S/C13H8F3IS/c14-13(15,16)18-12-7-6-10(8-11(12)17)9-4-2-1-3-5-9/h1-8H
InChIKey ZKCAYNSYTJTEQC-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.202104395
Molecular Weight 380.167 g/mol
Reported Formula C13H8F3SI
SMILES C1=C(C(=CC(=C1)C=1C=CC=CC1)I)SC(F)(F)F
SPLASH splash10-001i-0009000000-0500f7b43ea369c4f130
Sample Comments Major isomer
Source of Spectrum QE-28-SM12-4k (DOI: 10.1002/chem.202104395)
Wiley ID 1898323