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

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

7-Bromanyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
SpectraBase Compound ID KD0xSY44DuK
InChI InChI=1S/C9H7BrN2O2/c10-5-1-2-7-6(3-5)9(14)11-4-8(13)12-7/h1-3H,4H2,(H,11,14)(H,12,13)
InChIKey QTLHJODGGBYWLC-UHFFFAOYSA-N
Mol Weight 255.07 g/mol
Molecular Formula C9H7BrN2O2
Exact Mass 253.96909 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8lL3aBTobb
Name 7-Bromanyl-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 253.969090471 u
Formula C9H7BrN2O2
InChI InChI=1S/C9H7BrN2O2/c10-5-1-2-7-6(3-5)9(14)11-4-8(13)12-7/h1-3H,4H2,(H,11,14)(H,12,13)
InChIKey QTLHJODGGBYWLC-UHFFFAOYSA-N
Molecular Weight 255.071 g/mol
SMILES C1NC(C=2C(NC1=O)=CC=C(C2)Br)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.976868