| SpectraBase Compound ID | JYUlUFfoMhO |
|---|---|
| InChI | InChI=1S/C15H9ClO4/c16-9-3-1-8(2-4-9)13-7-11(18)14-12(20-13)6-5-10(17)15(14)19/h1-7,17,19H |
| InChIKey | MMPDBZQIFRUCSD-UHFFFAOYSA-N |
| Mol Weight | 288.69 g/mol |
| Molecular Formula | C15H9ClO4 |
| Exact Mass | 288.018936 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6cdw7nfEvmI |
|---|---|
| Name | 4'-Chloro-5,6-dihydroxyflavone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.018936466 u |
| Formula | C15H9ClO4 |
| InChI | InChI=1S/C15H9ClO4/c16-9-3-1-8(2-4-9)13-7-11(18)14-12(20-13)6-5-10(17)15(14)19/h1-7,17,19H |
| InChIKey | MMPDBZQIFRUCSD-UHFFFAOYSA-N |
| SMILES | C1=2C(C=C(OC2C=CC(=C1O)O)C=1C=CC(=CC1)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.860823 |