| SpectraBase Compound ID | BUFPBSEFPCN |
|---|---|
| InChI | InChI=1S/C17H13NO5/c1-22-13-6-3-10(4-7-13)16(20)18-14-8-11-2-5-12(19)9-15(11)23-17(14)21/h2-9,19H,1H3,(H,18,20) |
| InChIKey | RQGKTXNLARSZCV-UHFFFAOYSA-N |
| Mol Weight | 311.29 g/mol |
| Molecular Formula | C17H13NO5 |
| Exact Mass | 311.079373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AwiKSIRUzHB |
|---|---|
| Name | 3-(p-Anisamido)-7-hydroxycoumarin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.079372518 u |
| Formula | C17H13NO5 |
| InChI | InChI=1S/C17H13NO5/c1-22-13-6-3-10(4-7-13)16(20)18-14-8-11-2-5-12(19)9-15(11)23-17(14)21/h2-9,19H,1H3,(H,18,20) |
| InChIKey | RQGKTXNLARSZCV-UHFFFAOYSA-N |
| SMILES | N(C1=CC=2C=CC(=CC2OC1=O)O)C(C1=CC=C(OC)C=C1)=O |