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2-Heptenoic acid, 2,6-dimethyl-5-oxo-, methyl ester, (E)-
SpectraBase Compound ID 4ck86zIWMsL
InChI InChI=1S/C10H16O3/c1-7(2)9(11)6-5-8(3)10(12)13-4/h5,7H,6H2,1-4H3/b8-5+
InChIKey ZHPAZEGYKKJJEX-VMPITWQZSA-N
Mol Weight 184.23 g/mol
Molecular Formula C10H16O3
Exact Mass 184.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hs9E4JKj1AM
Name 2-Heptenoic acid, 2,6-dimethyl-5-oxo-, methyl ester, (E)-
CAS Registry Number 108733-44-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O3
InChI InChI=1S/C10H16O3/c1-7(2)9(11)6-5-8(3)10(12)13-4/h5,7H,6H2,1-4H3/b8-5+
InChIKey ZHPAZEGYKKJJEX-VMPITWQZSA-N
Molecular Weight 184.235 g/mol
SMILES C(\C(=C\CC(=O)C(C)C)C)(=O)OC
SPLASH splash10-0229-7900000000-f6edf2708f78365ea281
Source of Spectrum AJ-59-2478-17
Synonyms Methyl (2E)-2,6-dimethyl-5-oxo-2-heptenoate Methyl 2,6-dimethyl-5-oxo-2-heptenoate
Wiley ID 1180660