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8-Chloro-1,3-dihydro-4-methyl-2H-1,5-benzodiazepin-2-one

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

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

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 25SYg5wrRCf
Name 8-Chloro-1,3-dihydro-4-methyl-2H-1,5-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)13-9-5-7(11)2-3-8(9)12-6/h2-3,5H,4H2,1H3,(H,13,14)
InChIKey FFOCVCLAZSLGTG-UHFFFAOYSA-N
Molecular Weight 208.648 g/mol
SMILES C1=C(Cl)C=CC2=C1NC(=O)CC(C)=N2
Spectrum/Structure Validation Score (Raman) 0.810061