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S-(Trifluoromethyl) benzothioate
SpectraBase Compound ID HEgLdczokrR
InChI InChI=1S/C8H5F3OS/c9-8(10,11)13-7(12)6-4-2-1-3-5-6/h1-5H
InChIKey IYOZIPABEMEEBK-UHFFFAOYSA-N
Mol Weight 206.18 g/mol
Molecular Formula C8H5F3OS
Exact Mass 206.00132 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HQCOP49d7dU
Name S-(Trifluoromethyl) benzothioate
Appearance Yellow liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H5F3OS
InChI InChI=1S/C8H5F3OS/c9-8(10,11)13-7(12)6-4-2-1-3-5-6/h1-5H
InChIKey IYOZIPABEMEEBK-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.202104395
Molecular Weight 206.182 g/mol
Quality 71
Reported Formula C8H5OSF3
SMILES C(SC(F)(F)F)(C1=CC=CC=C1)=O
SPLASH splash10-0a6r-7900000000-e260015d67d0b1ad8f93
Source of Spectrum QE-28-SM4-2a (DOI: 10.1002/chem.202104395)
Wiley ID 1898311