| SpectraBase Compound ID | Ca5ak6FXUIB |
|---|---|
| InChI | InChI=1S/C15H10O7/c16-6-1-2-12-8(3-6)13(20)14(21)15(22-12)7-4-10(18)11(19)5-9(7)17/h1-5,16-19,21H |
| InChIKey | RVFIXKXGOWFZDL-UHFFFAOYSA-N |
| Mol Weight | 302.24 g/mol |
| Molecular Formula | C15H10O7 |
| Exact Mass | 302.042653 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1TslB1ZOhEu |
|---|---|
| Name | 3,6,2',4',5'-Pentahydroxyflavone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.042652655 u |
| Formula | C15H10O7 |
| InChI | InChI=1S/C15H10O7/c16-6-1-2-12-8(3-6)13(20)14(21)15(22-12)7-4-10(18)11(19)5-9(7)17/h1-5,16-19,21H |
| InChIKey | RVFIXKXGOWFZDL-UHFFFAOYSA-N |
| SMILES | OC1=C(C=C(C(=C1)O)O)C1=C(C(C=2C=C(C=CC2O1)O)=O)O |
| Spectrum/Structure Validation Score (Raman) | 0.976712 |