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Chlorthalidone 4ME
SpectraBase Compound ID DGSdGjX04gr
InChI InChI=1S/C18H19ClN2O4S/c1-20(2)26(23,24)16-11-12(9-10-15(16)19)18(25-4)14-8-6-5-7-13(14)17(22)21(18)3/h5-11H,1-4H3
InChIKey BTVURLRTBZYINY-UHFFFAOYSA-N
Mol Weight 394.87 g/mol
Molecular Formula C18H19ClN2O4S
Exact Mass 394.075406 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8FIf0KvCvnE
Name Chlorthalidone 4ME
Classification Pharmaceutical drug derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 394.075405970 u
Formula C18H19ClN2O4S
InChI InChI=1S/C18H19ClN2O4S/c1-20(2)26(23,24)16-11-12(9-10-15(16)19)18(25-4)14-8-6-5-7-13(14)17(22)21(18)3/h5-11H,1-4H3
InChIKey BTVURLRTBZYINY-UHFFFAOYSA-N
Ionization Type Chemical Ionization (CI)
Molecular Weight 394.873 g/mol
Nominal Mass 394 u
Reagent Gas Methane
Retention Index 2908
SMILES C1(C=2C(C(N1C)=O)=CC=CC2)(C1=CC(S(N(C)C)(=O)=O)=C(C=C1)Cl)OC
SPLASH splash10-0002-0019100000-0b2697aba529a473c620
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2-Chloro-5-(1-hydroxy-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-1-yl)-N,N-dimethylbenzene-1-\rsulfonamide
Technique GC/MS
Wiley ID DD2024_000681