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Thioproperazine
SpectraBase Compound ID IKVpbeADOoe
InChI InChI=1S/C22H30N4O2S2/c1-23(2)30(27,28)18-9-10-22-20(17-18)26(19-7-4-5-8-21(19)29-22)12-6-11-25-15-13-24(3)14-16-25/h4-5,7-10,17H,6,11-16H2,1-3H3
InChIKey VZYCZNZBPPHOFY-UHFFFAOYSA-N
Mol Weight 446.63 g/mol
Molecular Formula C22H30N4O2S2
Exact Mass 446.181019 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2oZLkHUN28
Name Thioproperazine
CAS Registry Number 316-81-4
Classification Neuroleptic
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 446.181018568 u
Formula C22H30N4O2S2
InChI InChI=1S/C22H30N4O2S2/c1-23(2)30(27,28)18-9-10-22-20(17-18)26(19-7-4-5-8-21(19)29-22)12-6-11-25-15-13-24(3)14-16-25/h4-5,7-10,17H,6,11-16H2,1-3H3
InChIKey VZYCZNZBPPHOFY-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 446.628 g/mol
SMILES c12c(N(c3c(S2)ccc(c3)S(=O)(=O)N(C)C)CCCN2CCN(CC2)C)cccc1
SPLASH splash10-0229-7935200000-1959da842e4efd09a7c4
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_399