| SpectraBase Compound ID | 8Sm6IWKvU3v |
|---|---|
| InChI | InChI=1S/C9H8ClNO3/c1-5(12)11-7-4-2-3-6(10)8(7)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14) |
| InChIKey | VFHSJTHAMJFUCK-UHFFFAOYSA-N |
| Mol Weight | 213.62 g/mol |
| Molecular Formula | C9H8ClNO3 |
| Exact Mass | 213.019271 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FBw0SbrJn2r |
|---|---|
| Name | 2-Acetamido-6-chlorobenzoic acid |
| Comments | Computed using HOSE algorithm |
| 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)11-7-4-2-3-6(10)8(7)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14) |
| InChIKey | VFHSJTHAMJFUCK-UHFFFAOYSA-N |
| Molecular Weight | 213.620 g/mol |
| SMILES | OC(C=1C(=CC=CC1Cl)NC(C)=O)=O |