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6-Heptenoic acid, 3-oxo-, methyl ester
SpectraBase Compound ID 9pyRzPeeSlY
InChI InChI=1S/C8H12O3/c1-3-4-5-7(9)6-8(10)11-2/h3H,1,4-6H2,2H3
InChIKey HQLSDJWYINRSAP-UHFFFAOYSA-N
Mol Weight 156.18 g/mol
Molecular Formula C8H12O3
Exact Mass 156.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6FXAtYkZxEp
Name 6-Heptenoic acid, 3-oxo-, methyl ester
Alternate Name(s) 3-ketohept-6-enoic acid methyl ester 3-Oxo-6-heptenoic acid methyl ester Methyl 3-oxidanylidenehept-6-enoate Methyl 3-oxo-6-heptenoate Methyl 3-oxohept-6-enoate
CAS Registry Number 30414-57-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O3
InChI InChI=1S/C8H12O3/c1-3-4-5-7(9)6-8(10)11-2/h3H,1,4-6H2,2H3
InChIKey HQLSDJWYINRSAP-UHFFFAOYSA-N
Molecular Weight 156.181 g/mol
SMILES C=CCCC(=O)CC(=O)OC
SPLASH splash10-0pc3-9100000000-9e7d03091eeba4725d93
Source of Spectrum I-50-2708-15
Wiley ID 1153364