For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

4-Benzyl-1-methyl-1,4-benzodiazepine-5-one

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

4-Benzyl-1-methyl-1,4-benzodiazepine-5-one
SpectraBase Compound ID 85YMHOtpJte
InChI InChI=1S/C17H16N2O/c1-18-11-12-19(13-14-7-3-2-4-8-14)17(20)15-9-5-6-10-16(15)18/h2-12H,13H2,1H3
InChIKey MZUQOVFHTCEMHT-UHFFFAOYSA-N
Mol Weight 264.33 g/mol
Molecular Formula C17H16N2O
Exact Mass 264.126263 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4RMjRpHvjbv
Name 4-Benzyl-1-methyl-1,4-benzodiazepine-5-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 264.126263142 u
Formula C17H16N2O
InChI InChI=1S/C17H16N2O/c1-18-11-12-19(13-14-7-3-2-4-8-14)17(20)15-9-5-6-10-16(15)18/h2-12H,13H2,1H3
InChIKey MZUQOVFHTCEMHT-UHFFFAOYSA-N
Molecular Weight 264.328 g/mol
SMILES C1(C=2C(N(C)C=CN1CC=1C=CC=CC1)=CC=CC2)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.852442