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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 DmtXUwo8aO0
Name Xipamide 4ME
Classification Pharmaceutical drug derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
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
Nominal Mass 410 u
Quality 925
Retention Index 3017
SMILES C1(S(N(C)C)(=O)=O)=CC(C(N(C=2C(=CC=CC2C)C)C)=O)=C(C=C1Cl)OC
SPLASH splash10-01ri-0591200000-70e5612835886200f197
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 4-chloro-5-((dimethylamino)sulfonyl)-N-(2,6-dimethylphenyl)-2-methoxy-N-methylbenzamide
Technique GC/MS
Wiley ID DD2024_004263