For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(Phenylthio)acetic acid, (4-chlorophenyl)methyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

(Phenylthio)acetic acid, (4-chlorophenyl)methyl ester
SpectraBase Compound ID 9sGYdcykaoZ
InChI InChI=1S/C15H13ClO2S/c16-13-8-6-12(7-9-13)10-18-15(17)11-19-14-4-2-1-3-5-14/h1-9H,10-11H2
InChIKey ZHIZABUTNCVGJX-UHFFFAOYSA-N
Mol Weight 292.78 g/mol
Molecular Formula C15H13ClO2S
Exact Mass 292.032479 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID CXVcg7KWp7S
Name (Phenylthio)acetic acid, (4-chlorophenyl)methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 292.032478531 u
Formula C15H13ClO2S
InChI InChI=1S/C15H13ClO2S/c16-13-8-6-12(7-9-13)10-18-15(17)11-19-14-4-2-1-3-5-14/h1-9H,10-11H2
InChIKey ZHIZABUTNCVGJX-UHFFFAOYSA-N
Molecular Weight 292.780 g/mol
SMILES C1=CC=C(C=C1)SCC(OCC1=CC=C(C=C1)Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.85388