| SpectraBase Compound ID | AgTvg4aYROY |
|---|---|
| InChI | InChI=1S/C9H7ClN2O2/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 | DUAONSMGNHXBMX-UHFFFAOYSA-N |
| Mol Weight | 210.62 g/mol |
| Molecular Formula | C9H7ClN2O2 |
| Exact Mass | 210.019605 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 2BYrVmATgAJ |
|---|---|
| Name | 7-Chloro-3H-1,4-benzodiazepine-2,5(1H,4H)-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.019605171 u |
| Formula | C9H7ClN2O2 |
| InChI | InChI=1S/C9H7ClN2O2/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 | DUAONSMGNHXBMX-UHFFFAOYSA-N |
| SMILES | N1CC(NC2=CC=C(C=C2C1=O)Cl)=O |
| Spectrum/Structure Validation Score (Raman) | 0.979882 |