| SpectraBase Compound ID | 4FhPTzFhOM2 |
|---|---|
| InChI | InChI=1S/C18H16O4/c1-18(2,3)17(20)21-11-8-9-13-15(10-11)22-14-7-5-4-6-12(14)16(13)19/h4-10H,1-3H3 |
| InChIKey | QEUZIVACHFPHOH-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 | FPL0YFTOL4z |
|---|---|
| Name | 3-Hydroxyxanthone, trimethylacetate |
| 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/c1-18(2,3)17(20)21-11-8-9-13-15(10-11)22-14-7-5-4-6-12(14)16(13)19/h4-10H,1-3H3 |
| InChIKey | QEUZIVACHFPHOH-UHFFFAOYSA-N |
| SMILES | C1=2OC3=C(C(C2C=CC(=C1)OC(C(C)(C)C)=O)=O)C=CC=C3 |