(Z)-4-[N-p-Tolylmethyl(4-chlorobenzoylcarbamoyl)]-1-(4-methoxyphenyl)but-2-en-1,4-dione

SpectraBase Compound ID	IT7l3i7wWsE
InChI	InChI=1S/C26H22ClNO4/c1-18-3-5-19(6-4-18)17-28(26(31)21-7-11-22(27)12-8-21)25(30)16-15-24(29)20-9-13-23(32-2)14-10-20/h3-16H,17H2,1-2H3/b16-15-
InChIKey	RXIKJFUTDZUNAW-NXVVXOECSA-N Google Search
Mol Weight	447.92 g/mol
Molecular Formula	C26H22ClNO4
Exact Mass	447.123736 g/mol

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SpectraBase Spectrum ID	G4VdwUMdTXp
Name	(Z)-4-[N-p-Tolylmethyl(4-chlorobenzoylcarbamoyl)]-1-(4-methoxyphenyl)but-2-en-1,4-dione
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	447.123735888 u
Formula	C26H22ClNO4
InChI	InChI=1S/C26H22ClNO4/c1-18-3-5-19(6-4-18)17-28(26(31)21-7-11-22(27)12-8-21)25(30)16-15-24(29)20-9-13-23(32-2)14-10-20/h3-16H,17H2,1-2H3/b16-15-
InChIKey	RXIKJFUTDZUNAW-NXVVXOECSA-N
Molecular Weight	447.918 g/mol
SMILES	C(N(C(\C=C/C(C1=CC=C(C=C1)OC)=O)=O)CC1=CC=C(C=C1)C)(C1=CC=C(C=C1)Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.853653