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

*Links on SpectraBase are not permalinks.
2-Thiophenecarboxylic acid, 5-(4-oxopentyl)-, methyl ester
SpectraBase Compound ID 1BThvM82qK9
InChI InChI=1S/C11H14O3S/c1-8(12)4-3-5-9-6-7-10(15-9)11(13)14-2/h6-7H,3-5H2,1-2H3
InChIKey XISWLOISNNXKEO-UHFFFAOYSA-N
Mol Weight 226.29 g/mol
Molecular Formula C11H14O3S
Exact Mass 226.066365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID Ch4oQeXx685
Name 2-Thiophenecarboxylic acid, 5-(4-oxopentyl)-, methyl ester
CAS Registry Number 67137-62-6
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O3S
InChI InChI=1S/C11H14O3S/c1-8(12)4-3-5-9-6-7-10(15-9)11(13)14-2/h6-7H,3-5H2,1-2H3
InChIKey XISWLOISNNXKEO-UHFFFAOYSA-N
Molecular Weight 226.290 g/mol
SMILES c1(sc(CCCC(=O)C)cc1)C(=O)OC
SPLASH splash10-010r-0920000000-2aae5970ccc0dc8453cf
Source of Spectrum F-35-338-0
Synonyms 4-(5-Methoxycarbonylmethyl-2-thienyl)-2-butanone Methyl 5-(4-oxopentyl)-2-thiophenecarboxylate
Wiley ID 1227003