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Thiopropazate
SpectraBase Compound ID DINdCfonGqF
InChI InChI=1S/C23H28ClN3O2S/c1-18(28)29-16-15-26-13-11-25(12-14-26)9-4-10-27-20-5-2-3-6-22(20)30-23-8-7-19(24)17-21(23)27/h2-3,5-8,17H,4,9-16H2,1H3
InChIKey AIUHRQHVWSUTGJ-UHFFFAOYSA-N
Mol Weight 446.01 g/mol
Molecular Formula C23H28ClN3O2S
Exact Mass 445.159076 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 23G3r9vxD6
Name Thiopropazate @
CAS Registry Number 84-06-0
Classification Neuroleptic
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 445.159076026 u
Formula C23H28ClN3O2S
InChI InChI=1S/C23H28ClN3O2S/c1-18(28)29-16-15-26-13-11-25(12-14-26)9-4-10-27-20-5-2-3-6-22(20)30-23-8-7-19(24)17-21(23)27/h2-3,5-8,17H,4,9-16H2,1H3
InChIKey AIUHRQHVWSUTGJ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 446.009 g/mol
SMILES CC(OCCN1CCN(CCCN2c3cc(Cl)ccc3Sc3ccccc23)CC1)=O
SPLASH splash10-059b-9530000000-082ee772e3dd39917753
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: UHYAC-I
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Metofenazate-M/artifact (deacyl-) AC Perphenazine AC
Technique GC/MS
Wiley ID MMPW6e_373