| SpectraBase Compound ID | yapdHc9hou |
|---|---|
| InChI | InChI=1S/C7H7I/c1-6-3-2-4-7(8)5-6/h2-5H,1H3 |
| InChIKey | VLCPISYURGTGLP-UHFFFAOYSA-N |
| Mol Weight | 218.04 g/mol |
| Molecular Formula | C7H7I |
| Exact Mass | 217.959245 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BNetIuCBzXX |
|---|---|
| Name | 1-Iodo-3-methylbenzene |
| Classification | Chemical |
| Copyright | Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 217.959245225 u |
| Formula | C7H7I |
| InChI | InChI=1S/C7H7I/c1-6-3-2-4-7(8)5-6/h2-5H,1H3 |
| InChIKey | VLCPISYURGTGLP-UHFFFAOYSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 218.037 g/mol |
| Nominal Mass | 218 u |
| Quality | 997 |
| Retention Index | 1279 |
| SMILES | C1=C(C=CC=C1C)I |
| SPLASH | splash10-014l-9040000000-44c077d4436dcc269676 |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | 1-iodo-3-methylbenzene |
| Technique | GC/MS |
| Wiley ID | DD2024_030878 |