| SpectraBase Spectrum ID |
5Yee3o0CJZQ |
| Name |
Benzene,2-bromo-1,3,5-trimethyl- |
| CAS Registry Number |
576-83-0 |
| 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 |
198.004413354 u |
| Formula |
C9H11Br |
| InChI |
InChI=1S/C9H11Br/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,1-3H3 |
| InChIKey |
RRTLQRYOJOSPEA-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
199.091 g/mol |
| Nominal Mass |
198 u |
| Quality |
949 |
| Retention Index |
1264 |
| SMILES |
C1(=C(C(=CC(=C1)C)C)Br)C |
| SPLASH |
splash10-014l-7920000000-6c6782028a6dc500dada |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-bromo-1,3,5-trimethylbenzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032554 |
