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2-Heptenoic acid, 5-acetyl-6-oxo-, ethyl ester, (E)-
SpectraBase Compound ID HTnDB8H2cmf
InChI InChI=1S/C11H16O4/c1-4-15-11(14)7-5-6-10(8(2)12)9(3)13/h5,7,10H,4,6H2,1-3H3/b7-5+
InChIKey SWBSEKOYHZBEFB-FNORWQNLSA-N
Mol Weight 212.24 g/mol
Molecular Formula C11H16O4
Exact Mass 212.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LP9rc3qMtp7
Name 2-Heptenoic acid, 5-acetyl-6-oxo-, ethyl ester, (E)-
CAS Registry Number 66874-40-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O4
InChI InChI=1S/C11H16O4/c1-4-15-11(14)7-5-6-10(8(2)12)9(3)13/h5,7,10H,4,6H2,1-3H3/b7-5+
InChIKey SWBSEKOYHZBEFB-FNORWQNLSA-N
Molecular Weight 212.245 g/mol
SMILES C(C(=O)C)(C(=O)C)C\C=C\C(=O)OCC
SPLASH splash10-006x-9700000000-6a0bd3c33a2108e8ef60
Source of Spectrum B-31-1077-0
Synonyms Ethyl (2E)-5-acetyl-6-oxo-2-heptenoate Ethyl(E)-5-acetyl-6-oxohept-2-enoate
Wiley ID 1211158