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Diethyl 2-(5-methylthiophen-3-yl)malonate
SpectraBase Compound ID CaMT2qh0DYT
InChI InChI=1S/C12H16O4S/c1-4-15-11(13)10(12(14)16-5-2)9-6-8(3)17-7-9/h6-7,10H,4-5H2,1-3H3
InChIKey IPNNMXBYVVMAMO-UHFFFAOYSA-N
Mol Weight 256.32 g/mol
Molecular Formula C12H16O4S
Exact Mass 256.07693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L62F2KSTS65
Name Diethyl 2-(5-methylthiophen-3-yl)malonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O4S
InChI InChI=1S/C12H16O4S/c1-4-15-11(13)10(12(14)16-5-2)9-6-8(3)17-7-9/h6-7,10H,4-5H2,1-3H3
InChIKey IPNNMXBYVVMAMO-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol201292v
Molecular Weight 256.316 g/mol
SMILES c1c(csc1C)C(C(=O)OCC)C(OCC)=O
SPLASH splash10-06si-0920000000-2abe1255ffa82ade4458
Source of Spectrum A1-13-3640/SMSI9-S1
Synonyms 2-(5-Methyl-3-thiophenyl)propanedioic acid diethyl ester Diethyl 2-(5-methyl-3-thienyl)propanedioate Diethyl 2-(5-methylthiophen-3-yl)propanedioate
Wiley ID 1753459