| SpectraBase Spectrum ID |
8FR2DtFpnlY |
| Name |
Benzbromarone |
| CAS Registry Number |
3562-84-3 |
| Classification |
Pharmaceutical drug, uricosuric |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
421.915320243 u |
| Formula |
C17H12Br2O3 |
| InChI |
InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3 |
| InChIKey |
WHQCHUCQKNIQEC-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
424.088 g/mol |
| Nominal Mass |
422 u |
| Quality |
974 |
| Retention Index |
2757 |
| SMILES |
OC1=C(C=C(C(C=2C3=C(OC2CC)C=CC=C3)=O)C=C1Br)Br |
| SPLASH |
splash10-03k9-6961200000-8f3d001c2659da69828d |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3,5-Dibromo-4-hydroxyphenyl-2-ethylbenzofuran-3-yl ketone |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005725 |
