| SpectraBase Compound ID | KKDE25yLezw |
|---|---|
| InChI | InChI=1S/C17H12O4/c1-11(18)20-13-7-8-16-14(9-13)15(19)10-17(21-16)12-5-3-2-4-6-12/h2-10H,1H3 |
| InChIKey | LTYDCDZMWOUUSF-UHFFFAOYSA-N |
| Mol Weight | 280.28 g/mol |
| Molecular Formula | C17H12O4 |
| Exact Mass | 280.073559 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 76oXiRSDv9O |
|---|---|
| Name | 6-Hydroxyflavone, acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.073558862 u |
| Formula | C17H12O4 |
| InChI | InChI=1S/C17H12O4/c1-11(18)20-13-7-8-16-14(9-13)15(19)10-17(21-16)12-5-3-2-4-6-12/h2-10H,1H3 |
| InChIKey | LTYDCDZMWOUUSF-UHFFFAOYSA-N |
| SMILES | C1=C(C=CC=C1)C1=CC(C2=CC(=CC=C2O1)OC(C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.893596 |