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Ethyl 2-acetylamino-2-cyano-3-(4-methoxyphenyl)-5-oxo-5-(4-fluorophenyl)pentanoate
SpectraBase Compound ID GDvx9oL504O
InChI InChI=1S/C23H23FN2O5/c1-4-31-22(29)23(14-25,26-15(2)27)20(16-7-11-19(30-3)12-8-16)13-21(28)17-5-9-18(24)10-6-17/h5-12,20H,4,13H2,1-3H3,(H,26,27)
InChIKey BFEJFUPNPSXSCN-UHFFFAOYSA-N
Mol Weight 426.44 g/mol
Molecular Formula C23H23FN2O5
Exact Mass 426.1591 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BLMczxmuKwQ
Name Ethyl 2-acetylamino-2-cyano-3-(4-methoxyphenyl)-5-oxo-5-(4-fluorophenyl)pentanoate
Alternate Name(s) Ethyl 2-(acetylamino)-2-cyano-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-5-oxopentanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H23FN2O5
InChI InChI=1S/C23H23FN2O5/c1-4-31-22(29)23(14-25,26-15(2)27)20(16-7-11-19(30-3)12-8-16)13-21(28)17-5-9-18(24)10-6-17/h5-12,20H,4,13H2,1-3H3,(H,26,27)
InChIKey BFEJFUPNPSXSCN-UHFFFAOYSA-N
Molecular Weight 426.444 g/mol
SMILES N(C(C(=O)OCC)(C(CC(c1ccc(cc1)F)=O)c1ccc(cc1)OC)C#N)C(=O)C
SPLASH splash10-00di-0930000000-ca2486010dbd4f43abb7
Source of Spectrum CV-2004-1024-6
Wiley ID 1611266