| SpectraBase Spectrum ID |
48YU7Xdrmyf |
| Name |
1-Bromo-4-methylbenzene |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| 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 |
953 |
| Retention Index |
1064 |
| SMILES |
C1(=CC=C(C=C1)C)Br |
| SPLASH |
splash10-006x-9400000000-13998cb6b3b9304c7e20 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-bromo-4-methylbenzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032553 |
