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2-[[(E)-2-benzamido-3-(4-fluorophenyl)-1-oxoprop-2-enyl]amino]-4-methylpentanoic acid ethyl ester
SpectraBase Compound ID 6thYRxmfTuM
InChI InChI=1S/C24H27FN2O4/c1-4-31-24(30)21(14-16(2)3)27-23(29)20(15-17-10-12-19(25)13-11-17)26-22(28)18-8-6-5-7-9-18/h5-13,15-16,21H,4,14H2,1-3H3,(H,26,28)(H,27,29)/b20-15+
InChIKey IVIZZMQBVOENKB-HMMYKYKNSA-N
Mol Weight 426.49 g/mol
Molecular Formula C24H27FN2O4
Exact Mass 426.195486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ue6ocH87Rr
Name 2-[[(E)-2-benzamido-3-(4-fluorophenyl)-1-oxoprop-2-enyl]amino]-4-methylpentanoic acid ethyl ester
Alternate Name(s) 2-[[(E)-2-benzamido-3-(4-fluorophenyl)acryloyl]amino]-4-methyl-valeric acid ethyl ester Ethyl 2-[[(E)-2-benzamido-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methyl-pentanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H27FN2O4
InChI InChI=1S/C24H27FN2O4/c1-4-31-24(30)21(14-16(2)3)27-23(29)20(15-17-10-12-19(25)13-11-17)26-22(28)18-8-6-5-7-9-18/h5-13,15-16,21H,4,14H2,1-3H3,(H,26,28)(H,27,29)/b20-15+
InChIKey IVIZZMQBVOENKB-HMMYKYKNSA-N
Molecular Weight 426.488 g/mol
SMILES N(C(c1ccccc1)=O)\C(C(NC(CC(C)C)C(OCC)=O)=O)=C\c1ccc(cc1)F
SPLASH splash10-0a4i-7920000000-e6358efdcfce682b3e0d
Wiley ID 1446297