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1,3-Dimethyl-4-phenyl-4,5-benzo[d]diazepine

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

1,3-Dimethyl-4-phenyl-4,5-benzo[d]diazepine
SpectraBase Compound ID CDZ61JPN8kZ
InChI InChI=1S/C17H16N2/c1-13-16-11-7-6-10-15(16)12-17(19(2)18-13)14-8-4-3-5-9-14/h3-12H,1-2H3
InChIKey RJSDEVBXRNWIAN-UHFFFAOYSA-N
Mol Weight 248.33 g/mol
Molecular Formula C17H16N2
Exact Mass 248.131349 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 26mjpBBMyD4
Name 1,3-Dimethyl-4-phenyl-4,5-benzo[D]diazepine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.131348523 u
Formula C17H16N2
InChI InChI=1S/C17H16N2/c1-13-16-11-7-6-10-15(16)12-17(19(2)18-13)14-8-4-3-5-9-14/h3-12H,1-2H3
InChIKey RJSDEVBXRNWIAN-UHFFFAOYSA-N
Molecular Weight 248.329 g/mol
SMILES C=1(N(N=C(C=2C(C1)=CC=CC2)C)C)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.85744