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Ethyl 2-acetylamino-2-cyano-3-(phenyl)-5-oxo-5-(4-fluorophenyl)pentanoate
SpectraBase Compound ID BLj9f2LeunZ
InChI InChI=1S/C22H21FN2O4/c1-3-29-21(28)22(14-24,25-15(2)26)19(16-7-5-4-6-8-16)13-20(27)17-9-11-18(23)12-10-17/h4-12,19H,3,13H2,1-2H3,(H,25,26)
InChIKey YDLAOUAMVOQIHT-UHFFFAOYSA-N
Mol Weight 396.42 g/mol
Molecular Formula C22H21FN2O4
Exact Mass 396.148535 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HB82xm1oVJR
Name Ethyl 2-acetylamino-2-cyano-3-(phenyl)-5-oxo-5-(4-fluorophenyl)pentanoate
Alternate Name(s) Ethyl 2-(acetylamino)-2-cyano-5-(4-fluorophenyl)-5-oxo-3-phenylpentanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21FN2O4
InChI InChI=1S/C22H21FN2O4/c1-3-29-21(28)22(14-24,25-15(2)26)19(16-7-5-4-6-8-16)13-20(27)17-9-11-18(23)12-10-17/h4-12,19H,3,13H2,1-2H3,(H,25,26)
InChIKey YDLAOUAMVOQIHT-UHFFFAOYSA-N
Molecular Weight 396.418 g/mol
SMILES N(C(C(=O)OCC)(C(CC(c1ccc(cc1)F)=O)c1ccccc1)C#N)C(=O)C
SPLASH splash10-00fr-0940000000-a9772e74768035209a7d
Source of Spectrum CV-2004-1024-6
Wiley ID 1611268