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3-Benzyl-7-bromo-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

View entire compound with spectra: 1 FTIR

3-Benzyl-7-bromo-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
SpectraBase Compound ID 6HG6s5p5Qau
InChI InChI=1S/C16H13BrN2O2/c17-11-6-7-13-12(9-11)15(20)19-14(16(21)18-13)8-10-4-2-1-3-5-10/h1-7,9,14H,8H2,(H,18,21)(H,19,20)
InChIKey XJXYOCFQUVXSOX-UHFFFAOYSA-N
Mol Weight 345.2 g/mol
Molecular Formula C16H13BrN2O2
Exact Mass 344.016041 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 15XKQ8GNiB6
Name 3-Benzyl-7-bromo-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 344.016040665 u
Formula C16H13BrN2O2
InChI InChI=1S/C16H13BrN2O2/c17-11-6-7-13-12(9-11)15(20)19-14(16(21)18-13)8-10-4-2-1-3-5-10/h1-7,9,14H,8H2,(H,18,21)(H,19,20)
InChIKey XJXYOCFQUVXSOX-UHFFFAOYSA-N
Molecular Weight 345.196 g/mol
SMILES C1(Br)=CC=C2C(=C1)C(=O)NC(C(N2)=O)CC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.948905