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Benzeneacetonitrile, .alpha.-[[4-(heptyloxy)phenyl]methylene]-4-methoxy-
SpectraBase Compound ID BolG6eYo6Fw
InChI InChI=1S/C23H27NO2/c1-3-4-5-6-7-16-26-23-12-8-19(9-13-23)17-21(18-24)20-10-14-22(25-2)15-11-20/h8-15,17H,3-7,16H2,1-2H3/b21-17+
InChIKey ADJXQSPXOSOBGA-HEHNFIMWSA-N
Mol Weight 349.47 g/mol
Molecular Formula C23H27NO2
Exact Mass 349.204179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ILUouSf5FZ7
Name Benzeneacetonitrile, .alpha.-[[4-(heptyloxy)phenyl]methylene]-4-methoxy-
Alternate Name(s) 3-(4-(heptyloxy)phenyl)-2-(4-methoxyphenyl)acrylonitrile 3-(4-heptoxyphenyl)-2-(4-methoxyphenyl)-2-propenenitrile 3-(4-heptoxyphenyl)-2-(4-methoxyphenyl)prop-2-enenitrile
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Formula C23H27NO2
InChI InChI=1S/C23H27NO2/c1-3-4-5-6-7-16-26-23-12-8-19(9-13-23)17-21(18-24)20-10-14-22(25-2)15-11-20/h8-15,17H,3-7,16H2,1-2H3/b21-17+
InChIKey ADJXQSPXOSOBGA-HEHNFIMWSA-N
Molecular Weight 349.474 g/mol
SMILES CCCCCCCOc1ccc(\C=C/(C#N)c2ccc(OC)cc2)cc1
SPLASH splash10-0udl-6493000000-277b183b9f23f7549c15
Source of Spectrum JX-2015-3-1046
Wiley ID 1724564