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7-(3',4'-Methylenedioxyphenyl)-E-6-heptenol
SpectraBase Compound ID 3un5Pb0dEyZ
InChI InChI=1S/C14H18O3/c15-9-5-3-1-2-4-6-12-7-8-13-14(10-12)17-11-16-13/h4,6-8,10,15H,1-3,5,9,11H2/b6-4+
InChIKey DUFUXVJFHXUWTE-GQCTYLIASA-N
Mol Weight 234.29 g/mol
Molecular Formula C14H18O3
Exact Mass 234.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9dyqrnN6a14
Name 7-(3',4'-Methylenedioxyphenyl)-E-6-heptenol
Alternate Name(s) (6E)-7-(3',4'-Methylenedioxyphenyl)-6-heptenol (6E)-7-(1,3-benzodioxol-5-yl)-6-hepten-1-ol
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Formula C14H18O3
InChI InChI=1S/C14H18O3/c15-9-5-3-1-2-4-6-12-7-8-13-14(10-12)17-11-16-13/h4,6-8,10,15H,1-3,5,9,11H2/b6-4+
InChIKey DUFUXVJFHXUWTE-GQCTYLIASA-N
Molecular Weight 234.295 g/mol
SMILES OCCCCC\C=C\c1cc2c(OCO2)cc1
SPLASH splash10-001i-0930000000-efa9634e2f42e384169f
Source of Spectrum F-50-11118-0
Wiley ID 789553