| SpectraBase Spectrum ID |
JV97LR5HzGR |
| Name |
Benzbromarone |
| CAS Registry Number |
3562-84-3 |
| Classification |
Uricosuric |
| Copyright |
Copyright © 2023-2024 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 |
| SMILES |
c1(cc(c(c(c1)Br)O)Br)C(c1c(oc2ccccc12)CC)=O |
| SPLASH |
splash10-00di-5963500000-84aea4a564a5b2207ef4 |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Sample Preparation Procedure |
Detected: G U UHY |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_1393 |
