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(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
Mol Weight 447.92 g/mol
Molecular Formula C26H22ClNO4
Exact Mass 447.123736 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EtIpzO3MsJX
Name (Z)-4-[N-p-Tolylmethyl(4-chlorobenzoylcarbamoyl)]-1-(4-methoxyphenyl)but-2-en-1,4-dione
Alternate Name(s) (Z)-4-(N-p-Tolylmethyl(4-chlorophenylcarbamoyl]-1-(4-methoxyphenyl)but-2-en-1,4-dione 4-Chloro-N-[4-(4-methoxy-phenyl)-4-oxo-but-2-enoyl]-N-(4-methyl-benzyl)-benzamide
Comments Less than 3 mono-isotopic peaks
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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(c1ccc(cc1)OC)=O)=O)Cc1ccc(cc1)C)(c1ccc(cc1)Cl)=O
SPLASH splash10-000i-0900000000-bd0ce949ba22419f8539
Source of Spectrum F4-41-428-4j
Wiley ID 1711680