| SpectraBase Compound ID | 9EYehkuPof4 |
|---|---|
| InChI | InChI=1S/C15H12ClNO3/c1-20-15(19)11-4-8-13(9-5-11)17-14(18)10-2-6-12(16)7-3-10/h2-9H,1H3,(H,17,18) |
| InChIKey | JRWKHKQDVYXZJG-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 | 5svSB5kzwbA |
|---|---|
| Name | Benzoic acid, 4-(4-chlorobenzoylamino)-, 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)11-4-8-13(9-5-11)17-14(18)10-2-6-12(16)7-3-10/h2-9H,1H3,(H,17,18) |
| InChIKey | JRWKHKQDVYXZJG-UHFFFAOYSA-N |
| SMILES | C(NC1=CC=C(C(OC)=O)C=C1)(C1=CC=C(C=C1)Cl)=O |