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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 IfH6kU9VnBd
Name Chlortalidone 4ME
Classification Diuretic
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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 Electron Ionization (EI)
Molecular Weight 394.873 g/mol
Related CAS Registry Number(s) 77-36-1
SMILES C1(c2ccccc2C(c2ccc(c(c2)S(=O)(=O)N(C)C)Cl)(N1C)OC)=O
SPLASH splash10-01ti-0369000000-a03f268f07b2c2362ba9
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.
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_3104