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4-keto-4-(2-thienyl)butyric acid methyl ester
SpectraBase Compound ID 4vKWOkeHDei
InChI InChI=1S/C9H10O3S/c1-12-9(11)5-4-7(10)8-3-2-6-13-8/h2-3,6H,4-5H2,1H3
InChIKey OGQYPEWQHTZIJI-UHFFFAOYSA-N
Mol Weight 198.24 g/mol
Molecular Formula C9H10O3S
Exact Mass 198.035065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5vemzj69Q0f
Name 4-keto-4-(2-thienyl)butyric acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10O3S
InChI InChI=1S/C9H10O3S/c1-12-9(11)5-4-7(10)8-3-2-6-13-8/h2-3,6H,4-5H2,1H3
InChIKey OGQYPEWQHTZIJI-UHFFFAOYSA-N
Molecular Weight 198.236 g/mol
SMILES C(CCC(=O)c1cccs1)(=O)OC
SPLASH splash10-03di-2900000000-74b5b24faf6a7dfb2781
Source of Spectrum O1-55-1492-2
Synonyms 4-Oxo-4-thiophen-2-ylbutanoic acid methyl ester Methyl 4-oxidanylidene-4-thiophen-2-yl-butanoate Methyl 4-oxo-4-(2-thienyl)butanoate Methyl 4-oxo-4-thiophen-2-ylbutanoate
Wiley ID 1591281