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1-(4-Chloropheyl)-7,7-dimethyl-5-oxo-3-[4-(N2-phenyl-methylidene hydrazinocarbonylmethoxy)phenyl]-1,2,3,4,5,6,7,8-octahydroquinazoline
SpectraBase Compound ID Ecq94GjcvaL
InChI InChI=1S/C31H31ClN4O3/c1-31(2)16-28-27(29(37)17-31)19-35(21-36(28)25-10-8-23(32)9-11-25)24-12-14-26(15-13-24)39-20-30(38)34-33-18-22-6-4-3-5-7-22/h3-15,18H,16-17,19-21H2,1-2H3,(H,34,38)/b33-18+
InChIKey AWUQZDPRCIGZMY-DPNNOFEESA-N
Mol Weight 543.07 g/mol
Molecular Formula C31H31ClN4O3
Exact Mass 542.208469 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DIhkrhK4SWP
Name 1-(4-Chloropheyl)-7,7-dimethyl-5-oxo-3-[4-(N2-phenyl-methylidene hydrazinocarbonylmethoxy)phenyl]-1,2,3,4,5,6,7,8-octahydroquinazoline
Alternate Name(s) 2-[4-[1-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2,4,6,8-tetrahydroquinazolin-3-yl]phenoxy]-N-[(E)-(phenylmethylene)amino]acetamide N-[(E)-benzylideneamino]-2-[4-[1-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2,4,6,8-tetrahydroquinazolin-3-yl]phenoxy]acetamide 2-[4-[1-(4-chlorophenyl)-7,7-dimethyl-5-oxidanylidene-2,4,6,8-tetrahydroquinazolin-3-yl]phenoxy]-N-[(E)-(phenylmethylidene)amino]ethanamide
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Formula C31H31ClN4O3
InChI InChI=1S/C31H31ClN4O3/c1-31(2)16-28-27(29(37)17-31)19-35(21-36(28)25-10-8-23(32)9-11-25)24-12-14-26(15-13-24)39-20-30(38)34-33-18-22-6-4-3-5-7-22/h3-15,18H,16-17,19-21H2,1-2H3,(H,34,38)/b33-18+
InChIKey AWUQZDPRCIGZMY-DPNNOFEESA-N
Molecular Weight 543.067 g/mol
SMILES N(\N=C\c1ccccc1)C(COc1ccc(N2CC3=C(N(C2)c2ccc(cc2)Cl)CC(C)(C)CC3=O)cc1)=O
SPLASH splash10-014i-9710030000-8d40a5ad0494aed16b6a
Source of Spectrum F2-45-5396-21
Wiley ID 1703623