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Alanine, N-[(3-hydroxy-5-oxo-4-phenyl-2(5H)-furylidene)phenylacetyl]-3-phenyl-, methyl ester
SpectraBase Compound ID 1vD9BViXlXA
InChI InChI=1S/C28H23NO6/c1-34-27(32)21(17-18-11-5-2-6-12-18)29-26(31)23(20-15-9-4-10-16-20)25-24(30)22(28(33)35-25)19-13-7-3-8-14-19/h2-16,21,30H,17H2,1H3,(H,29,31)/b25-23+
InChIKey DKDGWAKCXBFTMM-WJTDDFOZSA-N
Mol Weight 469.49 g/mol
Molecular Formula C28H23NO6
Exact Mass 469.152537 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3McjggZ5sAe
Name Alanine, N-[(3-hydroxy-5-oxo-4-phenyl-2(5H)-furylidene)phenylacetyl]-3-phenyl-, methyl ester
CAS Registry Number 481-62-9
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H23NO6
InChI InChI=1S/C28H23NO6/c1-34-27(32)21(17-18-11-5-2-6-12-18)29-26(31)23(20-15-9-4-10-16-20)25-24(30)22(28(33)35-25)19-13-7-3-8-14-19/h2-16,21,30H,17H2,1H3,(H,29,31)/b25-23+
InChIKey DKDGWAKCXBFTMM-WJTDDFOZSA-N
Molecular Weight 469.493 g/mol
SMILES OC=1\C(=C/(C(NC(Cc2ccccc2)C(OC)=O)=O)c2ccccc2)OC(C1c1ccccc1)=O
SPLASH splash10-000m-9510000000-1c43513be458f27ef066
Source of Spectrum SD-1981-0-0
Synonyms Methyl 2-([2-(3-hydroxy-5-oxo-4-phenyl-2(5H)-furanylidene)-2-phenylethanoyl]amino)-3-phenylpropanoate Methyl 2-[[(2E)-2-(5-hydroxy-3-oxo-4-phenylfuran-2-ylidene)-2-phenylacetyl]amino]-3-phenylpropanoate
Wiley ID 1392660