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

*Links on SpectraBase are not permalinks.

3-(p-Chlorophenyl)thioacrylic acid-S-methyl ester

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

3-(p-Chlorophenyl)thioacrylic acid-S-methyl ester
SpectraBase Compound ID vu1WDGvIQ2
InChI InChI=1S/C10H9ClOS/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7H,1H3/b7-4+
InChIKey YDSMZYIKOSWDJS-QPJJXVBHSA-N
Mol Weight 212.69 g/mol
Molecular Formula C10H9ClOS
Exact Mass 212.006264 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 JuMVNTgu2Sj
Name 3-(p-Chlorophenyl)thioacrylic acid-S-methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 212.006263783 u
Formula C10H9ClOS
InChI InChI=1S/C10H9ClOS/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7H,1H3/b7-4+
InChIKey YDSMZYIKOSWDJS-QPJJXVBHSA-N
Molecular Weight 212.694 g/mol
SMILES C(\C=C\C1=CC=C(C=C1)Cl)(=O)SC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.946241