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Xipamide 4ME
SpectraBase Compound ID 4P3nL3sl33G
InChI InChI=1S/C19H23ClN2O4S/c1-12-8-7-9-13(2)18(12)22(5)19(23)14-10-17(27(24,25)21(3)4)15(20)11-16(14)26-6/h7-11H,1-6H3
InChIKey VTQHJVKXXBXKKF-UHFFFAOYSA-N
Mol Weight 410.92 g/mol
Molecular Formula C19H23ClN2O4S
Exact Mass 410.106706 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9IWxVkIaB46
Name Xipamide 4ME
Classification Diuretic
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Exact Mass 410.106706099 u
Formula C19H23ClN2O4S
InChI InChI=1S/C19H23ClN2O4S/c1-12-8-7-9-13(2)18(12)22(5)19(23)14-10-17(27(24,25)21(3)4)15(20)11-16(14)26-6/h7-11H,1-6H3
InChIKey VTQHJVKXXBXKKF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 410.916 g/mol
SMILES c1(N(C(c2c(OC)cc(c(c2)S(=O)(=O)N(C)C)Cl)=O)C)c(cccc1C)C
SPLASH splash10-004r-1591100000-f26d13d313c6308f69af
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: UME
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_3085