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(4E)-6-Methylhepta-4,6-dien-2-one
SpectraBase Compound ID 54wsw7VFtFw
InChI InChI=1S/C8H12O/c1-7(2)5-4-6-8(3)9/h4-5H,1,6H2,2-3H3/b5-4+
InChIKey OBMYPXXEAASGHF-SNAWJCMRSA-N
Mol Weight 124.18 g/mol
Molecular Formula C8H12O
Exact Mass 124.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3b0IXKHPKZT
Name (4E)-6-Methylhepta-4,6-dien-2-one
Alternate Name(s) (4E)-6-methyl-2-hepta-4,6-dienone
Comments Less than 3 mono-isotopic peaks
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Formula C8H12O
InChI InChI=1S/C8H12O/c1-7(2)5-4-6-8(3)9/h4-5H,1,6H2,2-3H3/b5-4+
InChIKey OBMYPXXEAASGHF-SNAWJCMRSA-N
Molecular Weight 124.183 g/mol
SMILES C(\C=C\CC(=O)C)(=C)C
SPLASH splash10-0006-9200000000-77e30afa5a7dc9db6bde
Source of Spectrum SO-0-665-3
Wiley ID 874485