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2-[[(Z)-2-benzamido-3-(4-fluorophenyl)-1-oxoprop-2-enyl]amino]-3-phenylpropanoic acid
SpectraBase Compound ID Bn19XMDA0xf
InChI InChI=1S/C25H21FN2O4/c26-20-13-11-18(12-14-20)15-21(27-23(29)19-9-5-2-6-10-19)24(30)28-22(25(31)32)16-17-7-3-1-4-8-17/h1-15,22H,16H2,(H,27,29)(H,28,30)(H,31,32)/b21-15-
InChIKey QBGIHOUIQZNXJX-QNGOZBTKSA-N
Mol Weight 432.45 g/mol
Molecular Formula C25H21FN2O4
Exact Mass 432.148535 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4pAaKmJVqJ6
Name 2-[[(Z)-2-benzamido-3-(4-fluorophenyl)-1-oxoprop-2-enyl]amino]-3-phenylpropanoic acid
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Formula C25H21FN2O4
InChI InChI=1S/C25H21FN2O4/c26-20-13-11-18(12-14-20)15-21(27-23(29)19-9-5-2-6-10-19)24(30)28-22(25(31)32)16-17-7-3-1-4-8-17/h1-15,22H,16H2,(H,27,29)(H,28,30)(H,31,32)/b21-15-
InChIKey QBGIHOUIQZNXJX-QNGOZBTKSA-N
Molecular Weight 432.451 g/mol
SMILES N(C(c1ccccc1)=O)\C(C(NC(C(O)=O)Cc1ccccc1)=O)=C/c1ccc(cc1)F
SPLASH splash10-0a6r-9600000000-6b97feec26d3349ffb01
Synonyms 2-[[(Z)-2-benzamido-3-(4-fluorophenyl)acryloyl]amino]-3-phenyl-propionic acid 2-[[(Z)-2-benzamido-3-(4-fluorophenyl)prop-2-enoyl]amino]-3-phenyl-propanoic acid
Wiley ID 1446293