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4-(4-Chlorophenyl)-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepine

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

4-(4-Chlorophenyl)-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepine
SpectraBase Compound ID K1443Xg9tM1
InChI InChI=1S/C21H17ClN2/c22-17-12-10-16(11-13-17)21-14-20(15-6-2-1-3-7-15)23-18-8-4-5-9-19(18)24-21/h1-13,20,23H,14H2
InChIKey HGXLBVMEBUESSS-UHFFFAOYSA-N
Mol Weight 332.83 g/mol
Molecular Formula C21H17ClN2
Exact Mass 332.108026 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FdV2hyx4BJs
Name 4-(4-Chlorophenyl)-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 332.108026255 u
Formula C21H17ClN2
InChI InChI=1S/C21H17ClN2/c22-17-12-10-16(11-13-17)21-14-20(15-6-2-1-3-7-15)23-18-8-4-5-9-19(18)24-21/h1-13,20,23H,14H2
InChIKey HGXLBVMEBUESSS-UHFFFAOYSA-N
Molecular Weight 332.834 g/mol
SMILES C1(=NC=2C(NC(C1)C=1C=CC=CC1)=CC=CC2)C1=CC=C(C=C1)Cl