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1-(2-(1-acetyl-4-(p-tolyl)-1H-imidazol-2-yl)piperidin-1-yl)-2-(methylthio)propan-1-one
SpectraBase Compound ID 27fzxL83Okw
InChI InChI=1S/C21H27N3O2S/c1-14-8-10-17(11-9-14)18-13-24(16(3)25)20(22-18)19-7-5-6-12-23(19)21(26)15(2)27-4/h8-11,13,15,19H,5-7,12H2,1-4H3
InChIKey LISKOBIDGJGQDN-UHFFFAOYSA-N
Mol Weight 385.53 g/mol
Molecular Formula C21H27N3O2S
Exact Mass 385.182398 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ghsnu9thXp
Name 1-(2-(1-acetyl-4-(p-tolyl)-1H-imidazol-2-yl)piperidin-1-yl)-2-(methylthio)propan-1-one
Appearance Off-white solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 385.182398293 u
Formula C21H27N3O2S
InChI InChI=1S/C21H27N3O2S/c1-14-8-10-17(11-9-14)18-13-24(16(3)25)20(22-18)19-7-5-6-12-23(19)21(26)15(2)27-4/h8-11,13,15,19H,5-7,12H2,1-4H3
InChIKey LISKOBIDGJGQDN-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 385.526 g/mol
SMILES C(C)(=O)N1C(=NC(=C1)C1=CC=C(C=C1)C)C1N(CCCC1)C(C(C)SC)=O
SPLASH splash10-0006-0092000000-fb15e59e2f8665d64e8a
Source of Spectrum WO2022171653A1
Wiley ID 1892734