| SpectraBase Compound ID | 2TYJOXe4tn0 |
|---|---|
| InChI | InChI=1S/C7H6ClNO3/c8-6-2-1-3-7(9(11)12)5(6)4-10/h1-3,10H,4H2 |
| InChIKey | NXNWDPRVHZOPBJ-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 | GWVwulW8S9W |
|---|---|
| Name | 2-Chloro-6-nitrobenzyl alcohol |
| 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/c8-6-2-1-3-7(9(11)12)5(6)4-10/h1-3,10H,4H2 |
| InChIKey | NXNWDPRVHZOPBJ-UHFFFAOYSA-N |
| SMILES | OCC1=C(C=CC=C1N(=O)=O)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.958138 |