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

*Links on SpectraBase are not permalinks.
Isothiocyanate, 3-(trifluoromethoxy)phenyl
SpectraBase Compound ID JivOMiqZ2bV
InChI InChI=1S/C8H4F3NOS/c9-8(10,11)13-7-3-1-2-6(4-7)12-5-14/h1-4H
InChIKey HMLWHJZZNJAFOM-UHFFFAOYSA-N
Mol Weight 219.18 g/mol
Molecular Formula C8H4F3NOS
Exact Mass 218.996569 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 24ye0ztWtXc
Name Isothiocyanate, 3-(trifluoromethoxy)phenyl
Alternate Name(s) 1-isothiocyanato-3-(trifluoromethyloxy)benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H4F3NOS
InChI InChI=1S/C8H4F3NOS/c9-8(10,11)13-7-3-1-2-6(4-7)12-5-14/h1-4H
InChIKey HMLWHJZZNJAFOM-UHFFFAOYSA-N
Molecular Weight 219.181 g/mol
SMILES c1(OC(F)(F)F)cc(ccc1)N=C=S
SPLASH splash10-014i-9220000000-c8e748b38485d436c080
Source of Spectrum IY-1-4354-6
Wiley ID 1651529