| SpectraBase Compound ID | DPht8l41bOU |
|---|---|
| InChI | InChI=1S/C10H9ClN2O2/c1-13-8-3-2-6(11)4-7(8)10(15)12-5-9(13)14/h2-4H,5H2,1H3,(H,12,15) |
| InChIKey | VOQUEWRCTHTSSR-UHFFFAOYSA-N |
| Mol Weight | 224.65 g/mol |
| Molecular Formula | C10H9ClN2O2 |
| Exact Mass | 224.035255 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | E7pK6485jFC |
|---|---|
| Name | 7-Chloro-3,4-dihydro-1-methyl-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 | 224.035255236 u |
| Formula | C10H9ClN2O2 |
| InChI | InChI=1S/C10H9ClN2O2/c1-13-8-3-2-6(11)4-7(8)10(15)12-5-9(13)14/h2-4H,5H2,1H3,(H,12,15) |
| InChIKey | VOQUEWRCTHTSSR-UHFFFAOYSA-N |
| SMILES | N1CC(N(C2=C(C1=O)C=C(C=C2)Cl)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.979598 |