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Benzeneacetonitrile, 4-methoxy-.alpha.-[[4-(pentyloxy)phenyl]methylene]-
SpectraBase Compound ID 2RjxEC3RTTd
InChI InChI=1S/C21H23NO2/c1-3-4-5-14-24-21-10-6-17(7-11-21)15-19(16-22)18-8-12-20(23-2)13-9-18/h6-13,15H,3-5,14H2,1-2H3/b19-15+
InChIKey KPEKIZZRFJCOQY-XDJHFCHBSA-N
Mol Weight 321.42 g/mol
Molecular Formula C21H23NO2
Exact Mass 321.172879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CakW1Fh9IV5
Name Benzeneacetonitrile, 4-methoxy-.alpha.-[[4-(pentyloxy)phenyl]methylene]-
Alternate Name(s) 2-(4-Methoxyphenyl)-3-(4-(pentyloxy)phenyl)acrylonitrile 2-(4-Methoxyphenyl)-3-(4-pentoxyphenyl)-2-propenenitrile 2-(4-Methoxyphenyl)-3-(4-pentoxyphenyl)prop-2-enenitrile
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Formula C21H23NO2
InChI InChI=1S/C21H23NO2/c1-3-4-5-14-24-21-10-6-17(7-11-21)15-19(16-22)18-8-12-20(23-2)13-9-18/h6-13,15H,3-5,14H2,1-2H3/b19-15+
InChIKey KPEKIZZRFJCOQY-XDJHFCHBSA-N
Molecular Weight 321.420 g/mol
SMILES CCCCCOc1ccc(\C=C/(C#N)c2ccc(OC)cc2)cc1
SPLASH splash10-002f-9540000000-db317fcb020798707055
Source of Spectrum JX-2015-3-271
Wiley ID 1723849