| SpectraBase Compound ID | Ghgakq6leBD |
|---|---|
| InChI | InChI=1S/C8H9I/c1-6-3-7(2)5-8(9)4-6/h3-5H,1-2H3 |
| InChIKey | ZLMKEENUYIUKKC-UHFFFAOYSA-N |
| Mol Weight | 232.06 g/mol |
| Molecular Formula | C8H9I |
| Exact Mass | 231.974895 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Ksi5oddwwAk |
|---|---|
| Name | 1-Iodo-3,5-dimethylbenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.974895290 u |
| Formula | C8H9I |
| InChI | InChI=1S/C8H9I/c1-6-3-7(2)5-8(9)4-6/h3-5H,1-2H3 |
| InChIKey | ZLMKEENUYIUKKC-UHFFFAOYSA-N |
| Molecular Weight | 232.064 g/mol |
| SMILES | C=1(I)C=C(C=C(C1)C)C |
| Spectrum/Structure Validation Score (Raman) | 0.938855 |