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(E,E)-(Hexa-2,4-dienyl) 3-oxobutyrate
SpectraBase Compound ID CamMB6OnLCF
InChI InChI=1S/C10H14O3/c1-3-4-5-6-7-13-10(12)8-9(2)11/h3-6H,7-8H2,1-2H3/b4-3+,6-5+
InChIKey GGHQIPOKILBFBG-VNKDHWASSA-N
Mol Weight 182.22 g/mol
Molecular Formula C10H14O3
Exact Mass 182.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5vHJivBeQGO
Name (E,E)-(Hexa-2,4-dienyl) 3-oxobutyrate
Alternate Name(s) Butanoic acid, 3-oxo-, 2,4-hexadienyl ester, (E,E)- (2E,4E)-2,4-hexadienyl 3-oxobutanoate 2,4-Hexadien-1-yl acetoacetate 3-ketobutyric acid[(2E,4E)-hexa-2,4-dienyl]ester 3-Oxobutanoic acid[(2E,4E)-hexa-2,4-dienyl]ester [(2E,4E)-hexa-2,4-dienyl]3-oxidanylidenebutanoate [(2E,4E)-hexa-2,4-dienyl]3-oxobutanoate 3-Oxobutanoic acid [(2E,4E)-hexa-2,4-dienyl] ester [(2E,4E)-hexa-2,4-dienyl] 3-oxobutanoate [(2E,4E)-hexa-2,4-dienyl] 3-oxidanylidenebutanoate
CAS Registry Number 86747-73-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O3
InChI InChI=1S/C10H14O3/c1-3-4-5-6-7-13-10(12)8-9(2)11/h3-6H,7-8H2,1-2H3/b4-3+,6-5+
InChIKey GGHQIPOKILBFBG-VNKDHWASSA-N
Molecular Weight 182.219 g/mol
SMILES C(CC(C)=O)(=O)OC\C=C\C=C\C
SPLASH splash10-001j-9000000000-759bf03e92c733bef7be
Source of Spectrum KD-16-2010-1
Wiley ID 1637813