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

*Links on SpectraBase are not permalinks.

4-Mercaptobenzoic acid, S-(N-propyloxycarbonyl)-, methyl ester

View entire compound with spectra: 1 FTIR

4-Mercaptobenzoic acid, S-(N-propyloxycarbonyl)-, methyl ester
SpectraBase Compound ID GtzCVp8xG3Y
InChI InChI=1S/C12H14O4S/c1-3-8-16-12(14)17-10-6-4-9(5-7-10)11(13)15-2/h4-7H,3,8H2,1-2H3
InChIKey JPICKBPADQQGSY-UHFFFAOYSA-N
Mol Weight 254.3 g/mol
Molecular Formula C12H14O4S
Exact Mass 254.06128 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 4nID5tDfYpt
Name 4-Mercaptobenzoic acid, S-(N-propyloxycarbonyl)-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.061280101 u
Formula C12H14O4S
InChI InChI=1S/C12H14O4S/c1-3-8-16-12(14)17-10-6-4-9(5-7-10)11(13)15-2/h4-7H,3,8H2,1-2H3
InChIKey JPICKBPADQQGSY-UHFFFAOYSA-N
Molecular Weight 254.300 g/mol
SMILES C1=CC(=CC=C1C(=O)OC)SC(OCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.945968