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(E)-N-Benzyl-2-(4-chlorobenzylidene)-4-(4-methoxyphenyl)-4-oxobutanamide
SpectraBase Compound ID BqW4je98aMm
InChI InChI=1S/C25H22ClNO3/c1-30-23-13-9-20(10-14-23)24(28)16-21(15-18-7-11-22(26)12-8-18)25(29)27-17-19-5-3-2-4-6-19/h2-15H,16-17H2,1H3,(H,27,29)/b21-15+
InChIKey REFWGQKWFRIAQS-RCCKNPSSSA-N
Mol Weight 419.91 g/mol
Molecular Formula C25H22ClNO3
Exact Mass 419.128821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F4opnbWGXpZ
Name (E)-N-Benzyl-2-(4-chlorobenzylidene)-4-(4-methoxyphenyl)-4-oxobutanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H22ClNO3
InChI InChI=1S/C25H22ClNO3/c1-30-23-13-9-20(10-14-23)24(28)16-21(15-18-7-11-22(26)12-8-18)25(29)27-17-19-5-3-2-4-6-19/h2-15H,16-17H2,1H3,(H,27,29)/b21-15+
InChIKey REFWGQKWFRIAQS-RCCKNPSSSA-N
Literature Reference DOI 10.1016/j.bioorg.2016.03.007
Molecular Weight 419.908 g/mol
SMILES N(C(\C(CC(=O)c1ccc(cc1)OC)=C\c1ccc(cc1)Cl)=O)Cc1ccccc1
SPLASH splash10-0udr-3430900000-f17a618e9f5ed76f4b03
Source of Spectrum Samar Hafez Abbas, et al. Bioorganic Chemistry, 10.1016/j.bioorg.2016.03.007
Wiley ID 1815990