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Ethyl 2-(2'-benzamido-2'-oxoacetamido)-2-cyano-5-phenylpropanoate
SpectraBase Compound ID 942NC66bqcQ
InChI InChI=1S/C21H19N3O5/c1-3-29-20(28)21(2,13-22)24-19(27)18(26)23-17(25)16-11-7-10-15(12-16)14-8-5-4-6-9-14/h4-12H,3H2,1-2H3,(H,24,27)(H,23,25,26)
InChIKey WVANVMBCRSSOOL-UHFFFAOYSA-N
Mol Weight 393.4 g/mol
Molecular Formula C21H19N3O5
Exact Mass 393.132471 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5y2DoK31CU9
Name Ethyl 2-(2'-benzamido-2'-oxoacetamido)-2-cyano-5-phenylpropanoate
Alternate Name(s) Ethyl 2-{[[([1,1'-biphenyl]-3-ylcarbonyl)amino](oxo)acetyl]amino}-2-cyanopropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19N3O5
InChI InChI=1S/C21H19N3O5/c1-3-29-20(28)21(2,13-22)24-19(27)18(26)23-17(25)16-11-7-10-15(12-16)14-8-5-4-6-9-14/h4-12H,3H2,1-2H3,(H,24,27)(H,23,25,26)
InChIKey WVANVMBCRSSOOL-UHFFFAOYSA-N
Molecular Weight 393.399 g/mol
SMILES N(C(C(NC(c1cc(-c2ccccc2)ccc1)=O)=O)=O)C(C(=O)OCC)(C#N)C
SPLASH splash10-0a4o-9910000000-c129160e46b4478f4707
Source of Spectrum H-82-916-13
Wiley ID 815466