| SpectraBase Compound ID | 2J1VAajdYWN |
|---|---|
| InChI | InChI=1S/C14H10O5/c1-6-7-2-9(15)11(17)4-13(7)19-14-5-12(18)10(16)3-8(6)14/h2-5,15-17H,1H3 |
| InChIKey | TZVNNUHRZXQCHM-UHFFFAOYSA-N |
| Mol Weight | 258.23 g/mol |
| Molecular Formula | C14H10O5 |
| Exact Mass | 258.052823 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | ImAj79pGmF |
|---|---|
| Name | 9-Methyl-2,6,7-trihydroxy-3H-xanthen-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.052823417 u |
| Formula | C14H10O5 |
| InChI | InChI=1S/C14H10O5/c1-6-7-2-9(15)11(17)4-13(7)19-14-5-12(18)10(16)3-8(6)14/h2-5,15-17H,1H3 |
| InChIKey | TZVNNUHRZXQCHM-UHFFFAOYSA-N |
| SMILES | OC=1C(=CC=2OC3=CC(C(=CC3=C(C2C1)C)O)=O)O |
| Spectrum/Structure Validation Score (Raman) | 0.885707 |