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

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

2-(4-nitrophenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine
SpectraBase Compound ID Aub3eFuRYt3
InChI InChI=1S/C21H17N3O2/c25-24(26)17-12-10-16(11-13-17)21-14-20(15-6-2-1-3-7-15)22-18-8-4-5-9-19(18)23-21/h1-13,21,23H,14H2
InChIKey JBCDOBWKOOOYRT-UHFFFAOYSA-N
Mol Weight 343.39 g/mol
Molecular Formula C21H17N3O2
Exact Mass 343.132077 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J852gMHFSMp
Name 2-(4-Nitrophenyl)-4-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 343.132076797 u
Formula C21H17N3O2
InChI InChI=1S/C21H17N3O2/c25-24(26)17-12-10-16(11-13-17)21-14-20(15-6-2-1-3-7-15)22-18-8-4-5-9-19(18)23-21/h1-13,21,23H,14H2
InChIKey JBCDOBWKOOOYRT-UHFFFAOYSA-N
Molecular Weight 343.386 g/mol
SMILES C1(=NC=2C(NC(C1)C1=CC=C(N(=O)=O)C=C1)=CC=CC2)C1=CC=CC=C1