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(E) 4-Methyl-2,6-heptadiene
SpectraBase Compound ID 3gOyxWcz5nD
InChI InChI=1S/C8H13NO2/c1-3-5-8(2)6-4-7-9(10)11/h3-4,6,8H,1,5,7H2,2H3/b6-4+
InChIKey QIGXQDROAUXGKT-GQCTYLIASA-N
Mol Weight 155.2 g/mol
Molecular Formula C8H13NO2
Exact Mass 155.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 56NZxmhttgs
Name (E) 4-Methyl-2,6-heptadiene
Alternate Name(s) (E)-4-methyl-7-nitrohepta-1,5-diene
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Formula C8H13NO2
InChI InChI=1S/C8H13NO2/c1-3-5-8(2)6-4-7-9(10)11/h3-4,6,8H,1,5,7H2,2H3/b6-4+
InChIKey QIGXQDROAUXGKT-GQCTYLIASA-N
Literature Reference DOI 10.1021/ol500114m
Molecular Weight 155.197 g/mol
SMILES CC(CC=C)\C=C\C[N+](=O)[O-]
SPLASH splash10-014i-9000000000-109c1dbf024b1594e5f5
Source of Spectrum A1-16-1362/SMS11-3h
Wiley ID 1749204