| SpectraBase Compound ID | D9dA9cubudt |
|---|---|
| InChI | InChI=1S/C20H18O4/c1-20(2,3)19(22)23-14-9-10-15-16(13-7-5-4-6-8-13)12-18(21)24-17(15)11-14/h4-12H,1-3H3 |
| InChIKey | HPLJDRGWDSMVFH-UHFFFAOYSA-N |
| Mol Weight | 322.36 g/mol |
| Molecular Formula | C20H18O4 |
| Exact Mass | 322.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8i95qpXYK1Q |
|---|---|
| Name | 7-Hydroxy-4-phenylcoumarin, trimethylacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.120509056 u |
| Formula | C20H18O4 |
| InChI | InChI=1S/C20H18O4/c1-20(2,3)19(22)23-14-9-10-15-16(13-7-5-4-6-8-13)12-18(21)24-17(15)11-14/h4-12H,1-3H3 |
| InChIKey | HPLJDRGWDSMVFH-UHFFFAOYSA-N |
| Molecular Weight | 322.360 g/mol |
| SMILES | C1=2OC(C=C(C2C=CC(=C1)OC(C(C)(C)C)=O)C1=CC=CC=C1)=O |