| SpectraBase Compound ID | F8WLCuHxccf |
|---|---|
| InChI | InChI=1S/C7H8ClN.ClH/c1-5-6(8)3-2-4-7(5)9;/h2-4H,9H2,1H3;1H |
| InChIKey | WCZGXAZCBNLQJB-UHFFFAOYSA-N |
| Mol Weight | 178.06 g/mol |
| Molecular Formula | C7H9Cl2N |
| Exact Mass | 177.011205 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | GyjQsZ8juub |
|---|---|
| Name | 3-Chloro-o-toluidine, hydrochloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 177.011204694 u |
| Formula | C7H9Cl2N |
| InChI | InChI=1S/C7H8ClN.ClH/c1-5-6(8)3-2-4-7(5)9;/h2-4H,9H2,1H3;1H |
| InChIKey | WCZGXAZCBNLQJB-UHFFFAOYSA-N |
| Molecular Weight | 178.062 g/mol |
| SMILES | Cl.NC1=C(C(=CC=C1)Cl)C |
| Spectrum/Structure Validation Score (Raman) | 0.816349 |