| SpectraBase Compound ID | 4MW0GGNVevE |
|---|---|
| InChI | InChI=1S/C17H13NO3/c1-11-6-8-13(9-7-11)18-16(19)14-10-12-4-2-3-5-15(12)21-17(14)20/h2-10H,1H3,(H,18,19) |
| InChIKey | RYYPYTSGWXNKDU-UHFFFAOYSA-N |
| Mol Weight | 279.29 g/mol |
| Molecular Formula | C17H13NO3 |
| Exact Mass | 279.089543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CWNdEF4XU0d |
|---|---|
| Name | N-(p-Tolyl)-3-coumarincarboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.089543280 u |
| Formula | C17H13NO3 |
| InChI | InChI=1S/C17H13NO3/c1-11-6-8-13(9-7-11)18-16(19)14-10-12-4-2-3-5-15(12)21-17(14)20/h2-10H,1H3,(H,18,19) |
| InChIKey | RYYPYTSGWXNKDU-UHFFFAOYSA-N |
| Molecular Weight | 279.295 g/mol |
| SMILES | C12=CC=CC=C2C=C(C(O1)=O)C(NC1=CC=C(C)C=C1)=O |