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Benzbromarone AC
SpectraBase Compound ID L6lecHcn1pZ
InChI InChI=1S/C19H14Br2O4/c1-3-15-17(12-6-4-5-7-16(12)25-15)18(23)11-8-13(20)19(14(21)9-11)24-10(2)22/h4-9H,3H2,1-2H3
InChIKey DGWGKAZKUPISTQ-UHFFFAOYSA-N
Mol Weight 466.13 g/mol
Molecular Formula C19H14Br2O4
Exact Mass 463.925885 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3OIgwcNKaG
Name Benzbromarone AC
Classification Uricosuric
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Exact Mass 463.925884927 u
Formula C19H14Br2O4
InChI InChI=1S/C19H14Br2O4/c1-3-15-17(12-6-4-5-7-16(12)25-15)18(23)11-8-13(20)19(14(21)9-11)24-10(2)22/h4-9H,3H2,1-2H3
InChIKey DGWGKAZKUPISTQ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 466.125 g/mol
SMILES c1(cc(c(c(Br)c1)OC(=O)C)Br)C(c1c(CC)oc2ccccc12)=O
SPLASH splash10-00di-1221900000-3b4ac9781a2a18d35bbe
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_2255