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Thioridazine-M
SpectraBase Compound ID KenCtKDaRcc
InChI InChI=1S/C21H24N2O3S2/c1-22-15(6-5-9-21(22)24)12-13-23-17-7-3-4-8-19(17)27-20-11-10-16(14-18(20)23)28(2,25)26/h3-4,7-8,10-11,14-15H,5-6,9,12-13H2,1-2H3
InChIKey UPUVEYDLUWSGLX-UHFFFAOYSA-N
Mol Weight 416.55 g/mol
Molecular Formula C21H24N2O3S2
Exact Mass 416.122835 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LRvHytEdmXd
Name Thioridazine-M
Classification Neuroleptic
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Exact Mass 416.122834986 u
Formula C21H24N2O3S2
InChI InChI=1S/C21H24N2O3S2/c1-22-15(6-5-9-21(22)24)12-13-23-17-7-3-4-8-19(17)27-20-11-10-16(14-18(20)23)28(2,25)26/h3-4,7-8,10-11,14-15H,5-6,9,12-13H2,1-2H3
InChIKey UPUVEYDLUWSGLX-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 416.554 g/mol
SMILES C1(CCN2c3c(ccc(S(=O)(=O)C)c3)Sc3ccccc23)CCCC(N1C)=O
SPLASH splash10-02t9-4970700000-b0abd903223e9653a88b
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: U+UHYAC
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Thioridazine-M (oxo-/side chain sulfone)
Technique GC/MS
Wiley ID MMPW6e_1895