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4-Chloro-3-trifluoromethyl-benzenethiol, S-methoxycarbonyl-

View entire compound with spectra: 1 FTIR

4-Chloro-3-trifluoromethyl-benzenethiol, S-methoxycarbonyl-
SpectraBase Compound ID 7TVgH21TsVo
InChI InChI=1S/C9H6ClF3O2S/c1-15-8(14)16-5-2-3-7(10)6(4-5)9(11,12)13/h2-4H,1H3
InChIKey HROMWKDCMOFUOJ-UHFFFAOYSA-N
Mol Weight 270.65 g/mol
Molecular Formula C9H6ClF3O2S
Exact Mass 269.972913 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1HCVvBqfsj2
Name 4-Chloro-3-trifluoromethyl-benzenethiol, S-methoxycarbonyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 269.972912794 u
Formula C9H6ClF3O2S
InChI InChI=1S/C9H6ClF3O2S/c1-15-8(14)16-5-2-3-7(10)6(4-5)9(11,12)13/h2-4H,1H3
InChIKey HROMWKDCMOFUOJ-UHFFFAOYSA-N
Molecular Weight 270.653 g/mol
SMILES C(F)(F)(F)C1=C(Cl)C=CC(=C1)SC(OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.875803