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3-(4-Methoxyanilino)-3-phenyl-propionoic acid nitrile
SpectraBase Compound ID KBoTV5lLo0Z
InChI InChI=1S/C16H16N2O/c1-19-15-9-7-14(8-10-15)18-16(11-12-17)13-5-3-2-4-6-13/h2-10,16,18H,11H2,1H3
InChIKey COOWZLRCMKWKGI-UHFFFAOYSA-N
Mol Weight 252.32 g/mol
Molecular Formula C16H16N2O
Exact Mass 252.126263 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HH2iQBRgSFq
Name 3-(4-Methoxyanilino)-3-phenyl-propionoic acid nitrile
Alternate Name(s) 3-((4-methoxyphenyl)amino)-3-phenylpropanenitrile
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Formula C16H16N2O
InChI InChI=1S/C16H16N2O/c1-19-15-9-7-14(8-10-15)18-16(11-12-17)13-5-3-2-4-6-13/h2-10,16,18H,11H2,1H3
InChIKey COOWZLRCMKWKGI-UHFFFAOYSA-N
Literature Reference DOI 10.1002/prac.19923340607
Molecular Weight 252.317 g/mol
SMILES N(c1ccc(cc1)OC)C(CC#N)c1ccccc1
SPLASH splash10-03di-4490000000-96ee3fa4025fdf674df1
Source of Spectrum JF-334-490-6a
Wiley ID 1791856