| SpectraBase Spectrum ID |
2nhJKkN1NlQ |
| Name |
1-Bromo-4,5-dimethoxy-2-methylbenzene |
| CAS Registry Number |
52806-46-9 |
| 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 |
229.994242592 u |
| Formula |
C9H11BrO2 |
| InChI |
InChI=1S/C9H11BrO2/c1-6-4-8(11-2)9(12-3)5-7(6)10/h4-5H,1-3H3 |
| InChIKey |
KVLMMRAXLYFCNY-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
231.089 g/mol |
| Nominal Mass |
230 u |
| Quality |
985 |
| Retention Index |
1490 |
| SMILES |
C1(=C(C=C(C(=C1)C)Br)OC)OC |
| SPLASH |
splash10-053r-9440000000-7b3b0554c8e30ebf50df |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-bromo-4,5-dimethoxy-2-methylbenzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032430 |
