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Diethyl (2,3-butadienyl)(2-oxoethyl)malonate
SpectraBase Compound ID 4zeZviXtAvr
InChI InChI=1S/C13H18O5/c1-4-7-8-13(9-10-14,11(15)17-5-2)12(16)18-6-3/h7,10H,1,5-6,8-9H2,2-3H3
InChIKey QPNYCESJPDNKJG-UHFFFAOYSA-N
Mol Weight 254.28 g/mol
Molecular Formula C13H18O5
Exact Mass 254.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2hyLObYLg0
Name Diethyl (2,3-butadienyl)(2-oxoethyl)malonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O5
InChI InChI=1S/C13H18O5/c1-4-7-8-13(9-10-14,11(15)17-5-2)12(16)18-6-3/h7,10H,1,5-6,8-9H2,2-3H3
InChIKey QPNYCESJPDNKJG-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol702966j
Molecular Weight 254.282 g/mol
SMILES C(C(OCC)=O)(CC=C=C)(C(=O)OCC)CC=O
SPLASH splash10-056r-1910000000-4fa324cb6d4538130bfb
Source of Spectrum A1-10-1047/SMS4-1d
Synonyms Diethyl 2-(buta-2,3-dien-1-yl)-2-(2-oxoethyl)malonate 2-Buta-2,3-dienyl-2-(2-oxoethyl)propanedioic acid diethyl ester Diethyl 2-buta-2,3-dienyl-2-(2-oxoethyl)propanedioate Diethyl 2-buta-2,3-dienyl-2-(2-oxidanylideneethyl)propanedioate
Wiley ID 1759097