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3-Benzyl-3,3-dicyano-2-phenyl-propionic acid benzyl ester

View entire compound with spectra: 1 NMR, and 2 MS (GC)

3-Benzyl-3,3-dicyano-2-phenyl-propionic acid benzyl ester
SpectraBase Compound ID JBcmMjLcRBB
InChI InChI=1S/C25H20N2O2/c26-18-25(19-27,16-20-10-4-1-5-11-20)23(22-14-8-3-9-15-22)24(28)29-17-21-12-6-2-7-13-21/h1-15,23H,16-17H2
InChIKey WTMGWQBAPSWLRC-UHFFFAOYSA-N
Mol Weight 380.45 g/mol
Molecular Formula C25H20N2O2
Exact Mass 380.152478 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LRsnbv6aDVo
Name 3-Benzyl-3,3-dicyano-2-phenyl-propionic acid benzyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H20N2O2
InChI InChI=1S/C25H20N2O2/c26-18-25(19-27,16-20-10-4-1-5-11-20)23(22-14-8-3-9-15-22)24(28)29-17-21-12-6-2-7-13-21/h1-15,23H,16-17H2
InChIKey WTMGWQBAPSWLRC-UHFFFAOYSA-N
Molecular Weight 380.447 g/mol
SMILES C(C#N)(C#N)(C(C(OCc1ccccc1)=O)c1ccccc1)Cc1ccccc1
SPLASH splash10-0006-9000000000-4c13e8fe4746c5150374
Source of Spectrum I-79-317-15
Synonyms Benzyl 3,3-dicyano-2,4-diphenylbutanoate Benzyl 3,3-dicyano-2,4-diphenyl-5-hexenoate
Wiley ID 842345