| SpectraBase Compound ID | DuQ2MQmP1gR |
|---|---|
| InChI | InChI=1S/C8H8ClNO2/c1-4-6(9)3-2-5(7(4)10)8(11)12/h2-3H,10H2,1H3,(H,11,12) |
| InChIKey | UJRYLIKAXUSWFS-UHFFFAOYSA-N |
| Mol Weight | 185.61 g/mol |
| Molecular Formula | C8H8ClNO2 |
| Exact Mass | 185.024356 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 6aAaKoWw8Pr |
|---|---|
| Name | 2-Amino-4-chloro-m-toluic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 185.024356200 u |
| Formula | C8H8ClNO2 |
| InChI | InChI=1S/C8H8ClNO2/c1-4-6(9)3-2-5(7(4)10)8(11)12/h2-3H,10H2,1H3,(H,11,12) |
| InChIKey | UJRYLIKAXUSWFS-UHFFFAOYSA-N |
| SMILES | NC1=C(C(O)=O)C=CC(=C1C)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.864611 |