| SpectraBase Compound ID | DLahSIfQ9Bd |
|---|---|
| InChI | InChI=1S/C9H8ClNO3/c1-5(12)11-8-4-6(10)2-3-7(8)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14) |
| InChIKey | SONOHJNKSOBNKY-UHFFFAOYSA-N |
| Mol Weight | 213.62 g/mol |
| Molecular Formula | C9H8ClNO3 |
| Exact Mass | 213.019271 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KfMP9Ivy884 |
|---|---|
| Name | 2-Acetamido-4-chlorobenzoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 213.019270819 u |
| Formula | C9H8ClNO3 |
| InChI | InChI=1S/C9H8ClNO3/c1-5(12)11-8-4-6(10)2-3-7(8)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14) |
| InChIKey | SONOHJNKSOBNKY-UHFFFAOYSA-N |
| Molecular Weight | 213.620 g/mol |
| SMILES | C=1(Cl)C=C(C(=CC1)C(=O)O)NC(=O)C |
| Spectrum/Structure Validation Score (Raman) | 0.887143 |