| SpectraBase Spectrum ID |
JGR2gw3nQye |
| Name |
4-Methylbenzyl bromide |
| CAS Registry Number |
104-81-4 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
183.988763290 u |
| Formula |
C8H9Br |
| InChI |
InChI=1S/C8H9Br/c1-7-2-4-8(6-9)5-3-7/h2-5H,6H2,1H3 |
| InChIKey |
WZRKSPFYXUXINF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
185.064 g/mol |
| Nominal Mass |
184 u |
| Quality |
844 |
| Retention Index |
1185 |
| SMILES |
C1(=CC=C(C=C1)C)CBr |
| SPLASH |
splash10-0a4i-3900000000-c78a53921f2084f85b77 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-(Bromomethyl)-4-methylbenzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007716 |
