| SpectraBase Compound ID | LDM4ZPwAazk |
|---|---|
| InChI | InChI=1S/C7H7Br/c1-6-2-4-7(8)5-3-6/h2-5H,1H3 |
| InChIKey | ZBTMRBYMKUEVEU-UHFFFAOYSA-N |
| Mol Weight | 171.04 g/mol |
| Molecular Formula | C7H7Br |
| Exact Mass | 169.973113 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JHqPft1gBLU |
|---|---|
| Name | 1-Bromo-4-methylbenzene |
| Classification | Chemical |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 169.973113225 u |
| Formula | C7H7Br |
| InChI | InChI=1S/C7H7Br/c1-6-2-4-7(8)5-3-6/h2-5H,1H3 |
| InChIKey | ZBTMRBYMKUEVEU-UHFFFAOYSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 171.037 g/mol |
| Nominal Mass | 170 u |
| Quality | 965 |
| Retention Index | 1072 |
| SMILES | C1(=CC=C(C=C1)C)Br |
| SPLASH | splash10-006x-9200000000-f48bd79c37066ad0219b |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | 1-bromo-4-methylbenzene |
| Technique | GC/MS |
| Wiley ID | DD2024_030885 |