| SpectraBase Compound ID | 4VBgZwZg0Qu |
|---|---|
| InChI | InChI=1S/C6H6ClNO/c7-5-2-1-4(8)3-6(5)9/h1-3,9H,8H2 |
| InChIKey | JSCNCRWPXOTDDZ-UHFFFAOYSA-N |
| Mol Weight | 143.57 g/mol |
| Molecular Formula | C6H6ClNO |
| Exact Mass | 143.013792 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | DFvd9MQv84l |
|---|---|
| Name | 2-Chloro-5-aminophenol; 5-amino-2-chlorophenol; phenol, 5-amino-2-chloro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 143.013791516 u |
| Formula | C6H6ClNO |
| InChI | InChI=1S/C6H6ClNO/c7-5-2-1-4(8)3-6(5)9/h1-3,9H,8H2 |
| InChIKey | JSCNCRWPXOTDDZ-UHFFFAOYSA-N |
| Molecular Weight | 143.573 g/mol |
| SMILES | NC=1C=CC(=C(C1)O)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.965595 |