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

*Links on SpectraBase are not permalinks.

Benzenepropanoic acid, 4-hydroxy-3-methoxy-.alpha.-thioxo-

View entire compound with spectra: 1 FTIR

Benzenepropanoic acid, 4-hydroxy-3-methoxy-.alpha.-thioxo-
SpectraBase Compound ID DIpMcCb1MZb
InChI InChI=1S/C10H10O4S/c1-14-8-4-6(2-3-7(8)11)5-9(15)10(12)13/h2-4,11H,5H2,1H3,(H,12,13)
InChIKey LYRYUVTXTTUSSY-UHFFFAOYSA-N
Mol Weight 226.25 g/mol
Molecular Formula C10H10O4S
Exact Mass 226.02998 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 GhSJthunrjV
Name Benzenepropanoic acid, 4-hydroxy-3-methoxy-.alpha.-thioxo-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.029979972 u
Formula C10H10O4S
InChI InChI=1S/C10H10O4S/c1-14-8-4-6(2-3-7(8)11)5-9(15)10(12)13/h2-4,11H,5H2,1H3,(H,12,13)
InChIKey LYRYUVTXTTUSSY-UHFFFAOYSA-N
Molecular Weight 226.246 g/mol
SMILES C1(=C(C=C(C=C1)CC(C(=O)O)=S)OC)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.812152