| SpectraBase Compound ID | EgJla294Tb2 |
|---|---|
| InChI | InChI=1S/C7H6ClNO3/c1-4-2-5(8)3-6(7(4)10)9(11)12/h2-3,10H,1H3 |
| InChIKey | AQCYSHAXKXQEFZ-UHFFFAOYSA-N |
| Mol Weight | 187.58 g/mol |
| Molecular Formula | C7H6ClNO3 |
| Exact Mass | 187.003621 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1lIhJht7FT |
|---|---|
| Name | 4-Chloro-6-nitro-o-cresol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 187.003620754 u |
| Formula | C7H6ClNO3 |
| InChI | InChI=1S/C7H6ClNO3/c1-4-2-5(8)3-6(7(4)10)9(11)12/h2-3,10H,1H3 |
| InChIKey | AQCYSHAXKXQEFZ-UHFFFAOYSA-N |
| SMILES | OC=1C(=CC(=CC1N(=O)=O)Cl)C |
| Spectrum/Structure Validation Score (Raman) | 0.906307 |