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1,3-Dicyclohexyl-5-[(2-phenylanilino)methylene]barbituric acid
SpectraBase Compound ID DwPAL5dHSwN
InChI InChI=1S/C29H33N3O3/c33-27-25(20-30-26-19-11-10-18-24(26)21-12-4-1-5-13-21)28(34)32(23-16-8-3-9-17-23)29(35)31(27)22-14-6-2-7-15-22/h1,4-5,10-13,18-20,22-23,30H,2-3,6-9,14-17H2
InChIKey KYGDRYKHZXFUEX-UHFFFAOYSA-N
Mol Weight 471.6 g/mol
Molecular Formula C29H33N3O3
Exact Mass 471.252192 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ck5GDqyaxfG
Name 1,3-Dicyclohexyl-5-[(2-phenylanilino)methylene]barbituric acid
Alternate Name(s) 1,3-Dicyclohexyl-5-[(2-phenylanilino)methylene]hexahydropyrimidine-2,4,6-trione 1,3-Dicyclohexyl-5-[(2-phenylanilino)methylidene]-1,3-diazinane-2,4,6-trione 1,3-Dicyclohexyl-5-[[(2-phenylphenyl)amino]methylidene]-1,3-diazinane-2,4,6-trione
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Formula C29H33N3O3
InChI InChI=1S/C29H33N3O3/c33-27-25(20-30-26-19-11-10-18-24(26)21-12-4-1-5-13-21)28(34)32(23-16-8-3-9-17-23)29(35)31(27)22-14-6-2-7-15-22/h1,4-5,10-13,18-20,22-23,30H,2-3,6-9,14-17H2
InChIKey KYGDRYKHZXFUEX-UHFFFAOYSA-N
Molecular Weight 471.601 g/mol
SMILES N(C=C1C(N(C(N(C1=O)C1CCCCC1)=O)C1CCCCC1)=O)c1ccccc1-c1ccccc1
SPLASH splash10-0a4i-1429100000-2f8a471c78f6eb6c2f60
Wiley ID 1438392