| SpectraBase Compound ID | 3T9CQWnFSSr |
|---|---|
| InChI | InChI=1S/C7H5I3O2/c8-4-1-5(9)7(12)6(10)3(4)2-11/h1,11-12H,2H2 |
| InChIKey | RIPQKKJLIDLGPD-UHFFFAOYSA-N |
| Mol Weight | 501.83 g/mol |
| Molecular Formula | C7H5I3O2 |
| Exact Mass | 501.742364 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | ISoI58Sp6O9 |
|---|---|
| Name | 3-Hydroxy-2,4,6-triiodobenzyl alcohol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 501.742364399 u |
| Formula | C7H5I3O2 |
| InChI | InChI=1S/C7H5I3O2/c8-4-1-5(9)7(12)6(10)3(4)2-11/h1,11-12H,2H2 |
| InChIKey | RIPQKKJLIDLGPD-UHFFFAOYSA-N |
| Molecular Weight | 501.828 g/mol |
| SMILES | OCC1=C(C(=C(C=C1I)I)O)I |
| Spectrum/Structure Validation Score (Raman) | 0.728157 |