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Ethyl 2-acetylamino-2-cyano-3-(4-nitrophenyl)-5-oxo-5-phenylpentanoate
SpectraBase Compound ID Etk8LT7Zly9
InChI InChI=1S/C22H21N3O6/c1-3-31-21(28)22(14-23,24-15(2)26)19(13-20(27)17-7-5-4-6-8-17)16-9-11-18(12-10-16)25(29)30/h4-12,19H,3,13H2,1-2H3,(H,24,26)
InChIKey VWASKRJKARJGID-UHFFFAOYSA-N
Mol Weight 423.43 g/mol
Molecular Formula C22H21N3O6
Exact Mass 423.143035 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9TRmJkYvXli
Name Ethyl 2-acetylamino-2-cyano-3-(4-nitrophenyl)-5-oxo-5-phenylpentanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21N3O6
InChI InChI=1S/C22H21N3O6/c1-3-31-21(28)22(14-23,24-15(2)26)19(13-20(27)17-7-5-4-6-8-17)16-9-11-18(12-10-16)25(29)30/h4-12,19H,3,13H2,1-2H3,(H,24,26)
InChIKey VWASKRJKARJGID-UHFFFAOYSA-N
Molecular Weight 423.425 g/mol
SMILES N(C(C(=O)OCC)(C(CC(c1ccccc1)=O)c1ccc(cc1)N(=O)=O)C#N)C(=O)C
SPLASH splash10-0006-9020000000-09dc46dfaf07a5cc8a3f
Source of Spectrum CV-2004-1024-6
Wiley ID 1611273