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7-Chloro-1,3-dihydro-4-methyl-2H-benzodiazepin-2-one

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

7-Chloro-1,3-dihydro-4-methyl-2H-benzodiazepin-2-one
SpectraBase Compound ID 49eNOAIWeth
InChI InChI=1S/C10H9ClN2O/c1-6-4-10(14)13-8-3-2-7(11)5-9(8)12-6/h2-3,5H,4H2,1H3,(H,13,14)
InChIKey SCAWARWSHVRCQO-UHFFFAOYSA-N
Mol Weight 208.65 g/mol
Molecular Formula C10H9ClN2O
Exact Mass 208.040341 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2ctngJCJA9l
Name 7-Chloro-1,3-dihydro-4-methyl-2H-benzodiazepin-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 208.040340617 u
Formula C10H9ClN2O
InChI InChI=1S/C10H9ClN2O/c1-6-4-10(14)13-8-3-2-7(11)5-9(8)12-6/h2-3,5H,4H2,1H3,(H,13,14)
InChIKey SCAWARWSHVRCQO-UHFFFAOYSA-N
Molecular Weight 208.648 g/mol
SMILES C12=C(NC(CC(=N2)C)=O)C=CC(=C1)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.864291