| SpectraBase Compound ID | KGeBwumID3A |
|---|---|
| InChI | InChI=1S/C15H12ClNO3/c1-20-15(19)10-5-4-6-11(9-10)17-14(18)12-7-2-3-8-13(12)16/h2-9H,1H3,(H,17,18) |
| InChIKey | ZMAJQQWKMOJKAF-UHFFFAOYSA-N |
| Mol Weight | 289.72 g/mol |
| Molecular Formula | C15H12ClNO3 |
| Exact Mass | 289.050571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LyP1b2UxbSg |
|---|---|
| Name | m-(o-Chlorobenzamido)benzoic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.050570947 u |
| Formula | C15H12ClNO3 |
| InChI | InChI=1S/C15H12ClNO3/c1-20-15(19)10-5-4-6-11(9-10)17-14(18)12-7-2-3-8-13(12)16/h2-9H,1H3,(H,17,18) |
| InChIKey | ZMAJQQWKMOJKAF-UHFFFAOYSA-N |
| Molecular Weight | 289.718 g/mol |
| SMILES | N(C(C1=CC=CC=C1Cl)=O)C=1C=C(C=CC1)C(OC)=O |