SpectraBase Spectrum ID |
2rOoffLewC |
Name |
Benzbromarone-M (HO-methoxy-) 2AC |
Classification |
Uricosuric |
Comments |
Structure comment: Wiggly bond = unknown position of substituent |
Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
551.941928913 u |
Formula |
C22H18Br2O7 |
InChI |
InChI=1S/C22H18Br2O7/c1-5-16-20(13-8-19(29-10(2)25)18(28-4)9-17(13)31-16)21(27)12-6-14(23)22(15(24)7-12)30-11(3)26/h6-9H,5H2,1-4H3 |
InChIKey |
OGNXJOAPCFEQFU-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
554.187 g/mol |
SMILES |
c1(C(c2c3c(cc(OC)c(c3)OC(=O)C)oc2CC)=O)cc(c(c(Br)c1)OC(=O)C)Br |
SPLASH |
splash10-0229-0022950000-69ae0aac7b0f16caa087 |
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-I |
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_2256 |