| SpectraBase Compound ID | 2gYjVqa9wkt |
|---|---|
| InChI | InChI=1S/C8H9I/c1-6-3-4-8(9)7(2)5-6/h3-5H,1-2H3 |
| InChIKey | BUNKQJAMHYKQIM-UHFFFAOYSA-N |
| Mol Weight | 232.06 g/mol |
| Molecular Formula | C8H9I |
| Exact Mass | 231.974895 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | LhA8W6zElDl |
|---|---|
| Name | 4-Iodo-m-xylene |
| 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/c1-6-3-4-8(9)7(2)5-6/h3-5H,1-2H3 |
| InChIKey | BUNKQJAMHYKQIM-UHFFFAOYSA-N |
| Molecular Weight | 232.064 g/mol |
| SMILES | C=1C(=CC=C(C1C)I)C |
| Spectrum/Structure Validation Score (Raman) | 0.946531 |