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(2E,5E)-2-[methyl(phenyl)amino]-4-(1-oxidanylpropyl)hepta-2,5-dienenitrile
SpectraBase Compound ID Ef4kyZ2fuGh
InChI InChI=1S/C17H22N2O/c1-4-9-14(17(20)5-2)12-16(13-18)19(3)15-10-7-6-8-11-15/h4,6-12,14,17,20H,5H2,1-3H3/b9-4+,16-12+
InChIKey NBRQYHKNQIDLSR-CUAATHQPSA-N
Mol Weight 270.38 g/mol
Molecular Formula C17H22N2O
Exact Mass 270.173213 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GQzHBvuatVP
Name (2E,5E)-2-[methyl(phenyl)amino]-4-(1-oxidanylpropyl)hepta-2,5-dienenitrile
Alternate Name(s) (2E,5E)-4-(1-hydroxypropyl)-2-(N-methylanilino)hepta-2,5-dienenitrile
Comments Less than 3 mono-isotopic peaks
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Formula C17H22N2O
InChI InChI=1S/C17H22N2O/c1-4-9-14(17(20)5-2)12-16(13-18)19(3)15-10-7-6-8-11-15/h4,6-12,14,17,20H,5H2,1-3H3/b9-4+,16-12+
InChIKey NBRQYHKNQIDLSR-CUAATHQPSA-N
Molecular Weight 270.376 g/mol
SMILES OC(C(\C=C/(N(c1ccccc1)C)C#N)\C=C\C)CC
SPLASH splash10-03di-0090000000-bde4f0eb4f2467c1c527
Source of Spectrum KC-1992-3091-25
Wiley ID 777410