| SpectraBase Compound ID | 1abpAJYjdmT |
|---|---|
| InChI | InChI=1S/C9H6ClNO.ClH/c10-7-3-4-8(12)9-6(7)2-1-5-11-9;/h1-5,12H;1H |
| InChIKey | QKWIORGVGGOEFG-UHFFFAOYSA-N |
| Mol Weight | 216.07 g/mol |
| Molecular Formula | C9H7Cl2NO |
| Exact Mass | 214.990469 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | H5VVA4q6Uxo |
|---|---|
| Name | 5-Chloro-8-quinolinol, hydrochloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.990469248 u |
| Formula | C9H7Cl2NO |
| InChI | InChI=1S/C9H6ClNO.ClH/c10-7-3-4-8(12)9-6(7)2-1-5-11-9;/h1-5,12H;1H |
| InChIKey | QKWIORGVGGOEFG-UHFFFAOYSA-N |
| Molecular Weight | 216.067 g/mol |
| SMILES | Cl.OC=1C=CC(=C2C=CC=NC12)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.948424 |