| SpectraBase Compound ID | 5XRRdQ4mvaf |
|---|---|
| InChI | InChI=1S/C9H9IO4/c1-4(11)7-6(14-2)3-5(12)8(10)9(7)13/h3,12-13H,1-2H3 |
| InChIKey | OJBGVYDHZOOVJO-UHFFFAOYSA-N |
| Mol Weight | 308.07 g/mol |
| Molecular Formula | C9H9IO4 |
| Exact Mass | 307.954554 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1vhMsxeppdd |
|---|---|
| Name | 2,4-Dihydroxy-3-iodo-6-methoxyphenyl-methyl-ketone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.954553766 u |
| Formula | C9H9IO4 |
| InChI | InChI=1S/C9H9IO4/c1-4(11)7-6(14-2)3-5(12)8(10)9(7)13/h3,12-13H,1-2H3 |
| InChIKey | OJBGVYDHZOOVJO-UHFFFAOYSA-N |
| Molecular Weight | 308.071 g/mol |
| SMILES | CC(=O)C1=C(O)C(I)=C(O)C=C1OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.91073 |