| SpectraBase Spectrum ID |
JIsjwpcVVIW |
| Name |
Broxaldine |
| CAS Registry Number |
3684-46-6 |
| Classification |
Pharmaceutical drug, antiprotozoal |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
418.915654596 u |
| Formula |
C17H11Br2NO2 |
| InChI |
InChI=1S/C17H11Br2NO2/c1-10-7-8-12-13(18)9-14(19)16(15(12)20-10)22-17(21)11-5-3-2-4-6-11/h2-9H,1H3 |
| InChIKey |
IJTPLVAAROHGGB-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
421.088 g/mol |
| Nominal Mass |
419 u |
| Quality |
934 |
| Retention Index |
2686 |
| SMILES |
C1(=C2C(=C(C=C1Br)Br)C=CC(=N2)C)OC(C1=CC=CC=C1)=O |
| SPLASH |
splash10-0a4i-2900000000-537c95ae036370ae9d91 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Broxaldin
Broxaldina
(5,7-Dibromo-2-methyl-quinolin-8-yl) benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000340 |
