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

*Links on SpectraBase are not permalinks.

8-Acetylthiooctanoic acid, methyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 4 MS (GC)

8-Acetylthiooctanoic acid, methyl ester
SpectraBase Compound ID EW4ISJZX3ci
InChI InChI=1S/C11H20O3S/c1-10(12)15-9-7-5-3-4-6-8-11(13)14-2/h3-9H2,1-2H3
InChIKey MWGIDRDXYJCVPA-UHFFFAOYSA-N
Mol Weight 232.34 g/mol
Molecular Formula C11H20O3S
Exact Mass 232.113316 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID 6bfVCduMi9B
Name 8-Acetylthiooctanoic acid, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.113315675 u
Formula C11H20O3S
InChI InChI=1S/C11H20O3S/c1-10(12)15-9-7-5-3-4-6-8-11(13)14-2/h3-9H2,1-2H3
InChIKey MWGIDRDXYJCVPA-UHFFFAOYSA-N
Molecular Weight 232.338 g/mol
Nominal Mass 232 u
SMILES C(=O)(C)SCCCCCCCC(OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.952464