| SpectraBase Compound ID | 8OJJWGc3l64 |
|---|---|
| InChI | InChI=1S/C21H14O3/c22-20-18(21(23)24-17-8-2-1-3-9-17)11-10-16-12-14-6-4-5-7-15(14)13-19(16)20/h1-13,22H |
| InChIKey | BHQPEIFKZNXNND-UHFFFAOYSA-N |
| Mol Weight | 314.34 g/mol |
| Molecular Formula | C21H14O3 |
| Exact Mass | 314.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5WuIzKCa2Z1 |
|---|---|
| Name | 1-Hydroxy-2-anthroic acid, phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.094294308 u |
| Formula | C21H14O3 |
| InChI | InChI=1S/C21H14O3/c22-20-18(21(23)24-17-8-2-1-3-9-17)11-10-16-12-14-6-4-5-7-15(14)13-19(16)20/h1-13,22H |
| InChIKey | BHQPEIFKZNXNND-UHFFFAOYSA-N |
| Molecular Weight | 314.340 g/mol |
| SMILES | OC1=C(C=CC2=CC=3C=CC=CC3C=C12)C(OC=1C=CC=CC1)=O |