| SpectraBase Compound ID | 19bsdpvisqs |
|---|---|
| InChI | InChI=1S/C6H4ClNO3/c7-6-4(8(10)11)2-1-3-5(6)9/h1-3,9H |
| InChIKey | QBGLHYQUZJDZOO-UHFFFAOYSA-N |
| Mol Weight | 173.56 g/mol |
| Molecular Formula | C6H4ClNO3 |
| Exact Mass | 172.987971 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Jg7fxxZZNn6 |
|---|---|
| Name | 2-Chloro-3-nitrophenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.987970690 u |
| Formula | C6H4ClNO3 |
| InChI | InChI=1S/C6H4ClNO3/c7-6-4(8(10)11)2-1-3-5(6)9/h1-3,9H |
| InChIKey | QBGLHYQUZJDZOO-UHFFFAOYSA-N |
| Molecular Weight | 173.555 g/mol |
| SMILES | OC1=CC=CC(=C1Cl)N(=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.963368 |