| SpectraBase Compound ID | hkZhhG3BPS |
|---|---|
| InChI | InChI=1S/C15H9IO3/c16-10-6-7-12-11(8-10)13(17)14(18)15(19-12)9-4-2-1-3-5-9/h1-8,18H |
| InChIKey | TZKBZRSSMGARTJ-UHFFFAOYSA-N |
| Mol Weight | 364.14 g/mol |
| Molecular Formula | C15H9IO3 |
| Exact Mass | 363.959639 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5a6f9C8ykMH |
|---|---|
| Name | 6-Iodoflavonol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 363.959639147 u |
| Formula | C15H9IO3 |
| InChI | InChI=1S/C15H9IO3/c16-10-6-7-12-11(8-10)13(17)14(18)15(19-12)9-4-2-1-3-5-9/h1-8,18H |
| InChIKey | TZKBZRSSMGARTJ-UHFFFAOYSA-N |
| Molecular Weight | 364.138 g/mol |
| SMILES | C1(=C(C(=O)C=2C(O1)=CC=C(C2)I)O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.909228 |