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2-Thiophenecarboxylic acid, 5-(3-oxobutyl)-, methyl ester
SpectraBase Compound ID HaiNRstZYnm
InChI InChI=1S/C10H12O3S/c1-7(11)3-4-8-5-6-9(14-8)10(12)13-2/h5-6H,3-4H2,1-2H3
InChIKey QLIMIRCJLTYRAR-UHFFFAOYSA-N
Mol Weight 212.26 g/mol
Molecular Formula C10H12O3S
Exact Mass 212.050715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GrDY7FwsjU0
Name 2-Thiophenecarboxylic acid, 5-(3-oxobutyl)-, methyl ester
CAS Registry Number 67137-59-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O3S
InChI InChI=1S/C10H12O3S/c1-7(11)3-4-8-5-6-9(14-8)10(12)13-2/h5-6H,3-4H2,1-2H3
InChIKey QLIMIRCJLTYRAR-UHFFFAOYSA-N
Molecular Weight 212.263 g/mol
SMILES c1(sc(CCC(=O)C)cc1)C(=O)OC
SPLASH splash10-0900-2950000000-045d8190de1dd50a42c9
Source of Spectrum F-35-339-0
Synonyms 4-(5-Methoxy carbonyl-2-thienyl)-2-butanone Methyl 5-(3-oxobutyl)-2-thiophenecarboxylate
Wiley ID 1210948