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2,4-Di(p-methylphenyl)-3,4-dihydro-5H-4-methyl-7-benzoyl-1,5-benzodiazepine

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2,4-Di(p-methylphenyl)-3,4-dihydro-5H-4-methyl-7-benzoyl-1,5-benzodiazepine
SpectraBase Compound ID BqyZUp9rPiM
InChI InChI=1S/C31H28N2O/c1-21-9-13-23(14-10-21)29-20-31(3,26-16-11-22(2)12-17-26)33-28-19-25(15-18-27(28)32-29)30(34)24-7-5-4-6-8-24/h4-19,33H,20H2,1-3H3
InChIKey QYXBVLVKKRMNSP-UHFFFAOYSA-N
Mol Weight 444.58 g/mol
Molecular Formula C31H28N2O
Exact Mass 444.220164 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FtbabajmCu0
Name 2,4-di(p-Methylphenyl)-3,4-dihydro-5H-4-methyl-7-benzoyl-1,5-benzodiazepine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 444.220163529 u
Formula C31H28N2O
InChI InChI=1S/C31H28N2O/c1-21-9-13-23(14-10-21)29-20-31(3,26-16-11-22(2)12-17-26)33-28-19-25(15-18-27(28)32-29)30(34)24-7-5-4-6-8-24/h4-19,33H,20H2,1-3H3
InChIKey QYXBVLVKKRMNSP-UHFFFAOYSA-N
Molecular Weight 444.578 g/mol
SMILES C1(=NC=2C(NC(C1)(C1=CC=C(C=C1)C)C)=CC(=CC2)C(=O)C=1C=CC=CC1)C=1C=CC(=CC1)C