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4-Heptenoic acid, 2-acetyl-2-methyl-, ethyl ester, (E)-
SpectraBase Compound ID JDbygweoY7B
InChI InChI=1S/C12H20O3/c1-5-7-8-9-12(4,10(3)13)11(14)15-6-2/h7-8H,5-6,9H2,1-4H3/b8-7+
InChIKey XLHQPMYBSBWQOR-BQYQJAHWSA-N
Mol Weight 212.29 g/mol
Molecular Formula C12H20O3
Exact Mass 212.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LVJzBfcjqmp
Name 4-HEPTENOIC ACID, 2-ACETYL-2-METHYL-, ETHYL ESTER, trans-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H20O3
InChI InChI=1S/C12H20O3/c1-5-7-8-9-12(4,10(3)13)11(14)15-6-2/h7-8H,5-6,9H2,1-4H3/b8-7+
InChIKey XLHQPMYBSBWQOR-BQYQJAHWSA-N
Molecular Weight 212.1407
SMILES CC\C=C\CC(C(=O)C)(C(OCC)=O)C
SPLASH splash10-0006-9200000000-57853642e44b79c35d92
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany