| SpectraBase Compound ID | ACl6FNLZwID |
|---|---|
| InChI | InChI=1S/C9H7ClN2O2/c10-6-1-2-7-5(3-6)4-8(13)12(7)9(11)14/h1-3H,4H2,(H2,11,14) |
| InChIKey | WGRHBRAKCHCGER-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 | 5xTlVK5WSpX |
|---|---|
| Name | 1H-Indole-1-carboxamide, 5-chloro-2,3-dihydro-2-oxo- |
| 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/c10-6-1-2-7-5(3-6)4-8(13)12(7)9(11)14/h1-3H,4H2,(H2,11,14) |
| InChIKey | WGRHBRAKCHCGER-UHFFFAOYSA-N |
| SMILES | NC(N1C2=C(C=C(C=C2)Cl)CC1=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.958712 |