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m-Trifluoromethylbenzyl mercaptan
SpectraBase Compound ID 4KGC4TjEsWf
InChI InChI=1S/C8H7F3S/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4,12H,5H2
InChIKey CQIQWIMXCPTQPJ-UHFFFAOYSA-N
Mol Weight 192.2 g/mol
Molecular Formula C8H7F3S
Exact Mass 192.022056 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID F6G1QOCyJBj
Name m-Trifluoromethylbenzyl mercaptan
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 192.022055888 u
Formula C8H7F3S
InChI InChI=1S/C8H7F3S/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4,12H,5H2
InChIKey CQIQWIMXCPTQPJ-UHFFFAOYSA-N
Molecular Weight 192.199 g/mol
SMILES C1=C(C=C(C=C1)C(F)(F)F)CS
Spectrum/Structure Validation Score (Vapor Phase IR) 0.893472