| SpectraBase Compound ID | 86zEgcYCEdH |
|---|---|
| InChI | InChI=1S/C13H10ClNO2/c14-9-4-3-5-10(8-9)15-12-7-2-1-6-11(12)13(16)17/h1-8,15H,(H,16,17) |
| InChIKey | OVMWPVYEBVFZHM-UHFFFAOYSA-N |
| Mol Weight | 247.68 g/mol |
| Molecular Formula | C13H10ClNO2 |
| Exact Mass | 247.040006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2CoGNFjMobG |
|---|---|
| Name | 2-(3-Chloroanilino)benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.040006264 u |
| Formula | C13H10ClNO2 |
| InChI | InChI=1S/C13H10ClNO2/c14-9-4-3-5-10(8-9)15-12-7-2-1-6-11(12)13(16)17/h1-8,15H,(H,16,17) |
| InChIKey | OVMWPVYEBVFZHM-UHFFFAOYSA-N |
| Molecular Weight | 247.681 g/mol |
| SMILES | C1=C(C(=CC=C1)C(O)=O)NC1=CC=CC(=C1)Cl |