| SpectraBase Compound ID | AS1zHnfEOys |
|---|---|
| InChI | InChI=1S/C18H16O4/c1-9(2)10(3)15-12(19)8-14-16(18(15)21)17(20)11-6-4-5-7-13(11)22-14/h4-8,10,19,21H,1H2,2-3H3 |
| InChIKey | GHTGKYMCDJLGDG-UHFFFAOYSA-N |
| Mol Weight | 296.32 g/mol |
| Molecular Formula | C18H16O4 |
| Exact Mass | 296.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J9jN8NyK0aG |
|---|---|
| Name | 1,3-Dihydroxy-2-(3-methylbut-3-en-2-yl)-9H-xanthen-9-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.104858991 u |
| Formula | C18H16O4 |
| InChI | InChI=1S/C18H16O4/c1-9(2)10(3)15-12(19)8-14-16(18(15)21)17(20)11-6-4-5-7-13(11)22-14/h4-8,10,19,21H,1H2,2-3H3 |
| InChIKey | GHTGKYMCDJLGDG-UHFFFAOYSA-N |
| SMILES | C1=2C(C=3C=CC=CC3OC2C=C(O)C(=C1O)C(C(=C)C)C)=O |