| SpectraBase Spectrum ID |
5PKAnPlCDRd |
| Name |
Benzbromarone-M (methoxy-) AC |
| Classification |
Uricosuric |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
493.936449610 u |
| Formula |
C20H16Br2O5 |
| InChI |
InChI=1S/C20H16Br2O5/c1-4-16-18(13-6-5-12(25-3)9-17(13)27-16)19(24)11-7-14(21)20(15(22)8-11)26-10(2)23/h5-9H,4H2,1-3H3 |
| InChIKey |
MKVIUZPPTHGLJA-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
496.151 g/mol |
| SMILES |
c1(cc(c(OC(C)=O)c(c1)Br)Br)C(c1c(CC)oc2cc(OC)ccc12)=O |
| SPLASH |
splash10-0ul0-0295600000-afc5f4a62ca3da2e95b7 |
| 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: UHYAC |
| 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_2661 |
