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Ethanethioic acid, phenoxy-, S-phenyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Ethanethioic acid, phenoxy-, S-phenyl ester
SpectraBase Compound ID HaAOPGWZGJt
InChI InChI=1S/C14H12O2S/c15-14(17-13-9-5-2-6-10-13)11-16-12-7-3-1-4-8-12/h1-10H,11H2
InChIKey PLDPJDJIKCWGDV-UHFFFAOYSA-N
Mol Weight 244.31 g/mol
Molecular Formula C14H12O2S
Exact Mass 244.055801 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3EblpxXR5Yp
Name Ethanethioic acid, phenoxy-, S-phenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 244.055800798 u
Formula C14H12O2S
InChI InChI=1S/C14H12O2S/c15-14(17-13-9-5-2-6-10-13)11-16-12-7-3-1-4-8-12/h1-10H,11H2
InChIKey PLDPJDJIKCWGDV-UHFFFAOYSA-N
Molecular Weight 244.308 g/mol
SMILES C(SC=1C=CC=CC1)(=O)COC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.964767