| SpectraBase Compound ID | Gh6GNzHYzoC |
|---|---|
| InChI | InChI=1S/C17H18O5/c1-6-17(3,4)12-9-11-7-8-13(20-5)15(21-10(2)18)14(11)22-16(12)19/h6-9H,1H2,2-5H3 |
| InChIKey | FQFUMAXZYWVQNG-UHFFFAOYSA-N |
| Mol Weight | 302.33 g/mol |
| Molecular Formula | C17H18O5 |
| Exact Mass | 302.115424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HFeSA0vXRVN |
|---|---|
| Name | 3-(1,1-Dimethylallyl)-8-hydroxy-7-methoxycoumarin, ac derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.115423675 u |
| Formula | C17H18O5 |
| InChI | InChI=1S/C17H18O5/c1-6-17(3,4)12-9-11-7-8-13(20-5)15(21-10(2)18)14(11)22-16(12)19/h6-9H,1H2,2-5H3 |
| InChIKey | FQFUMAXZYWVQNG-UHFFFAOYSA-N |
| SMILES | CC(=O)OC1=C2C(=CC=C1OC)C=C(C(C)(C)C=C)C(=O)O2 |