| SpectraBase Compound ID | C9phENmllFG |
|---|---|
| InChI | InChI=1S/C8H9I/c1-2-7-3-5-8(9)6-4-7/h3-6H,2H2,1H3 |
| InChIKey | OOLSRHZMXAYDFB-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 | K9JUriuj3Ud |
|---|---|
| Name | 4-Iodo-ethylbenzene |
| 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/c1-2-7-3-5-8(9)6-4-7/h3-6H,2H2,1H3 |
| InChIKey | OOLSRHZMXAYDFB-UHFFFAOYSA-N |
| Molecular Weight | 232.064 g/mol |
| SMILES | C1(I)=CC=C(CC)C=C1 |
| Spectrum/Structure Validation Score (Raman) | 0.935632 |