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2-Benzyl-2,4-dicyano-3-phenyl-butyrimidic acid methyl ester
SpectraBase Compound ID 4iVe9uhRqt1
InChI InChI=1S/C20H19N3O/c1-24-19(23)20(15-22,14-16-8-4-2-5-9-16)18(12-13-21)17-10-6-3-7-11-17/h2-11,18,23H,12,14H2,1H3
InChIKey SBQUETBNLICWEK-UHFFFAOYSA-N
Mol Weight 317.39 g/mol
Molecular Formula C20H19N3O
Exact Mass 317.152812 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5nO2KblxnrU
Name 2-Benzyl-2,4-dicyano-3-phenyl-butyrimidic acid methyl ester
Alternate Name(s) .alpha.-Methyl 2-benzyl-2,4-dicyano-3-phenylimidobutanoate .beta.-Methyl 2-benzyl-2,4-dicyano-3-phenylimidobutanoate Methyl 2-benzyl-2,4-dicyano-3-phenylbutanimidoate
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Formula C20H19N3O
InChI InChI=1S/C20H19N3O/c1-24-19(23)20(15-22,14-16-8-4-2-5-9-16)18(12-13-21)17-10-6-3-7-11-17/h2-11,18,23H,12,14H2,1H3
InChIKey SBQUETBNLICWEK-UHFFFAOYSA-N
Molecular Weight 317.392 g/mol
SMILES N=C(C(C#N)(C(c1ccccc1)CC#N)Cc1ccccc1)OC
SPLASH splash10-0006-9700000000-0dd09fb31ef848cdba1e
Source of Spectrum H1-43-43-9
Wiley ID 757723