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N-[2-(N''-(3-Methylphenyl)isocyano)phenyl]-N'-(butylcarbamoyl)methyl]-N-(4-chlorophenyl)-4-chlorobenzamide
SpectraBase Compound ID DFMYrBY2IGs
InChI InChI=1S/C33H30Cl2N4O2/c1-3-4-20-36-32(40)31(29-10-5-6-11-30(29)38-22-37-27-9-7-8-23(2)21-27)39(28-18-16-26(35)17-19-28)33(41)24-12-14-25(34)15-13-24/h5-19,21,31H,3-4,20H2,1-2H3,(H,36,40)
InChIKey XMSHFHCHNIGIPH-UHFFFAOYSA-N
Mol Weight 585.5 g/mol
Molecular Formula C33H30Cl2N4O2
Exact Mass 584.174582 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6XnSrbETrsY
Name N-[2-(N''-(3-Methylphenyl)isocyano)phenyl]-N'-(butylcarbamoyl)methyl]-N-(4-chlorophenyl)-4-chlorobenzamide
Alternate Name(s) N-[2-(butylamino)-1-[2-[(3-methylphenyl)iminomethylideneamino]phenyl]-2-oxoethyl]-4-chloro-N-(4-chlorophenyl)benzamide N-[2-(butylamino)-1-[2-(m-tolyliminomethyleneamino)phenyl]-2-oxo-ethyl]-4-chloro-N-(4-chlorophenyl)benzamide N-[2-(butylamino)-1-[2-[(3-methylphenyl)iminomethylideneamino]phenyl]-2-oxidanylidene-ethyl]-4-chloranyl-N-(4-chlorophenyl)benzamide
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Formula C33H30Cl2N4O2
InChI InChI=1S/C33H30Cl2N4O2/c1-3-4-20-36-32(40)31(29-10-5-6-11-30(29)38-22-37-27-9-7-8-23(2)21-27)39(28-18-16-26(35)17-19-28)33(41)24-12-14-25(34)15-13-24/h5-19,21,31H,3-4,20H2,1-2H3,(H,36,40)
InChIKey XMSHFHCHNIGIPH-UHFFFAOYSA-N
Molecular Weight 585.535 g/mol
SMILES N(C(C(N(C(c1ccc(cc1)Cl)=O)c1ccc(cc1)Cl)c1c(N=C=Nc2cc(C)ccc2)cccc1)=O)CCCC
SPLASH splash10-001i-1921410000-5402f4fa5ba493de5456
Source of Spectrum U1-2010-1094-3x
Wiley ID 1663379