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Thioridazine-M (ring sulfone)
SpectraBase Compound ID 4yIVaC1t0GY
InChI InChI=1S/C21H26N2O2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)27(24,25)21-11-10-17(26-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
InChIKey YVKXVUABTJSMKC-UHFFFAOYSA-N
Mol Weight 402.57 g/mol
Molecular Formula C21H26N2O2S2
Exact Mass 402.14357 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ffbT12nGy
Name Thioridazine-M (ring sulfone)
Classification Neuroleptic
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 402.143570431 u
Formula C21H26N2O2S2
InChI InChI=1S/C21H26N2O2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)27(24,25)21-11-10-17(26-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
InChIKey YVKXVUABTJSMKC-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 402.571 g/mol
SMILES C1(N(CCCC1)C)CCN1c2cc(ccc2S(c2c1cccc2)(=O)=O)SC
SPLASH splash10-0002-9121000000-a59556a385901666a523
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: P U+UHYAC
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_1740