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4-(5-acetyl-7-keto-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-6-yl)benzoic acid methyl ester
SpectraBase Compound ID 71TO9uUdBtf
InChI InChI=1S/C29H26N2O4/c1-18(32)31-25-11-7-6-10-23(25)30-24-16-22(19-8-4-3-5-9-19)17-26(33)27(24)28(31)20-12-14-21(15-13-20)29(34)35-2/h3-15,22,28,30H,16-17H2,1-2H3
InChIKey VRJUSSBQRCHZMI-UHFFFAOYSA-N
Mol Weight 466.54 g/mol
Molecular Formula C29H26N2O4
Exact Mass 466.189257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FRCB55bfYSa
Name 4-(5-acetyl-7-keto-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-6-yl)benzoic acid methyl ester
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Formula C29H26N2O4
InChI InChI=1S/C29H26N2O4/c1-18(32)31-25-11-7-6-10-23(25)30-24-16-22(19-8-4-3-5-9-19)17-26(33)27(24)28(31)20-12-14-21(15-13-20)29(34)35-2/h3-15,22,28,30H,16-17H2,1-2H3
InChIKey VRJUSSBQRCHZMI-UHFFFAOYSA-N
Molecular Weight 466.537 g/mol
SMILES N1c2ccccc2N(C(C2=C1CC(CC2=O)c1ccccc1)c1ccc(C(=O)OC)cc1)C(=O)C
SPLASH splash10-0006-9331100000-cf70fd3b1e758ad522e0
Synonyms 4-(5-acetyl-7-oxo-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-6-yl)benzoic acid methyl ester Methyl 4-(10-acetyl-1-oxo-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate Methyl 4-(5-acetyl-7-oxo-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-6-yl)benzoate Methyl 4-(5-ethanoyl-7-oxidanylidene-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-6-yl)benzoate
Wiley ID 1460337