| SpectraBase Compound ID | 1uwtoSHjsGA |
|---|---|
| InChI | InChI=1S/C6H5ClO2/c7-4-1-5(8)3-6(9)2-4/h1-3,8-9H |
| InChIKey | FQVLOBQILLZLJA-UHFFFAOYSA-N |
| Mol Weight | 144.56 g/mol |
| Molecular Formula | C6H5ClO2 |
| Exact Mass | 143.997807 g/mol |
| SpectraBase Spectrum ID | BkYxdcBF2py |
|---|---|
| Name | 5-Chlororesorcinol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 143.997807099 u |
| Formula | C6H5ClO2 |
| InChI | InChI=1S/C6H5ClO2/c7-4-1-5(8)3-6(9)2-4/h1-3,8-9H |
| InChIKey | FQVLOBQILLZLJA-UHFFFAOYSA-N |
| SMILES | C=1(O)C=C(C=C(C1)Cl)O |
| Spectrum/Structure Validation Score (Raman) | 0.975106 |