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Benzenebutanoic acid, .gamma.-cyano-.beta.-methyl-.gamma.-[(phenylmethylene)amino]-, methyl ester
SpectraBase Compound ID CBELlEt3U5D
InChI InChI=1S/C20H20N2O2/c1-16(13-19(23)24-2)20(15-21,18-11-7-4-8-12-18)22-14-17-9-5-3-6-10-17/h3-12,14,16H,13H2,1-2H3/b22-14+
InChIKey SVSQYHQFBNXDCP-HYARGMPZSA-N
Mol Weight 320.39 g/mol
Molecular Formula C20H20N2O2
Exact Mass 320.152478 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4yw3EkPg901
Name Benzenebutanoic acid, .gamma.-cyano-.beta.-methyl-.gamma.-[(phenylmethylene)amino]-, methyl ester
CAS Registry Number 113298-30-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20N2O2
InChI InChI=1S/C20H20N2O2/c1-16(13-19(23)24-2)20(15-21,18-11-7-4-8-12-18)22-14-17-9-5-3-6-10-17/h3-12,14,16H,13H2,1-2H3/b22-14+
InChIKey SVSQYHQFBNXDCP-HYARGMPZSA-N
Molecular Weight 320.392 g/mol
SMILES C(\N=C\c1ccccc1)(C#N)(C(CC(=O)OC)C)c1ccccc1
SPLASH splash10-014i-9360000000-bf049feac879c2eee856
Source of Spectrum AJ-60-3354-2
Synonyms Methyl 4-benzylideneamino-4-cyano-3-methyl-4-phenylbutanoate Methyl 4-cyano-3-methyl-4-phenyl-4-{[(E)-phenylmethylidene]amino}butanoate
Wiley ID 1320358