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3-(Trifluoromethoxy)thiophenol, S-methoxycarbonyl-

View entire compound with spectra: 1 FTIR

3-(Trifluoromethoxy)thiophenol, S-methoxycarbonyl-
SpectraBase Compound ID FBWVnLLFnQM
InChI InChI=1S/C9H7F3O3S/c1-14-8(13)16-7-4-2-3-6(5-7)15-9(10,11)12/h2-5H,1H3
InChIKey HPEZMTIFWBSSAT-UHFFFAOYSA-N
Mol Weight 252.21 g/mol
Molecular Formula C9H7F3O3S
Exact Mass 252.0068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LI8VVS8NUy4
Name 3-(Trifluoromethoxy)thiophenol, S-methoxycarbonyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.006799745 u
Formula C9H7F3O3S
InChI InChI=1S/C9H7F3O3S/c1-14-8(13)16-7-4-2-3-6(5-7)15-9(10,11)12/h2-5H,1H3
InChIKey HPEZMTIFWBSSAT-UHFFFAOYSA-N
Molecular Weight 252.207 g/mol
SMILES C(OC1=CC(SC(OC)=O)=CC=C1)(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.898698