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2-(Trifluoromethyl)thiophenol, S-methoxycarbonyl-

View entire compound with spectra: 1 FTIR

2-(Trifluoromethyl)thiophenol, S-methoxycarbonyl-
SpectraBase Compound ID HdEnMJztqdu
InChI InChI=1S/C9H7F3O2S/c1-14-8(13)15-7-5-3-2-4-6(7)9(10,11)12/h2-5H,1H3
InChIKey WUOVPHKEPPBPRA-UHFFFAOYSA-N
Mol Weight 236.21 g/mol
Molecular Formula C9H7F3O2S
Exact Mass 236.011885 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KaplvTcHCM3
Name 2-(Trifluoromethyl)thiophenol, S-methoxycarbonyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.011885126 u
Formula C9H7F3O2S
InChI InChI=1S/C9H7F3O2S/c1-14-8(13)15-7-5-3-2-4-6(7)9(10,11)12/h2-5H,1H3
InChIKey WUOVPHKEPPBPRA-UHFFFAOYSA-N
Molecular Weight 236.208 g/mol
SMILES C1(=C(C=CC=C1)C(F)(F)F)SC(OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.922227