| SpectraBase Compound ID | IcK3f009N68 |
|---|---|
| InChI | InChI=1S/C8H7IO2/c1-5(10)7-4-6(9)2-3-8(7)11/h2-4,11H,1H3 |
| InChIKey | NCGZNHKOFRAKOF-UHFFFAOYSA-N |
| Mol Weight | 262.05 g/mol |
| Molecular Formula | C8H7IO2 |
| Exact Mass | 261.949074 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GG6u3OVKk5S |
|---|---|
| Name | 2-Hydroxy-5-iodoacetophenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.949074463 u |
| Formula | C8H7IO2 |
| InChI | InChI=1S/C8H7IO2/c1-5(10)7-4-6(9)2-3-8(7)11/h2-4,11H,1H3 |
| InChIKey | NCGZNHKOFRAKOF-UHFFFAOYSA-N |
| Molecular Weight | 262.046 g/mol |
| SMILES | C=1(C(=CC(=CC1)I)C(C)=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.879085 |