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1-(2-(5-(4-acetylphenyl)-1H-imidazol-2-yl)piperidin-1-yl)-2-(methylthio)propan-1-one
SpectraBase Compound ID KL6lgJ05ZDd
InChI InChI=1S/C20H25N3O2S/c1-13(24)15-7-9-16(10-8-15)17-12-21-19(22-17)18-6-4-5-11-23(18)20(25)14(2)26-3/h7-10,12,14,18H,4-6,11H2,1-3H3,(H,21,22)
InChIKey DPHXJCPCTWTSEN-UHFFFAOYSA-N
Mol Weight 371.5 g/mol
Molecular Formula C20H25N3O2S
Exact Mass 371.166748 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KvqnnkDIJdg
Name 1-(2-(5-(4-acetylphenyl)-1H-imidazol-2-yl)piperidin-1-yl)-2-(methylthio)propan-1-one
Appearance White solid
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Formula C20H25N3O2S
InChI InChI=1S/C20H25N3O2S/c1-13(24)15-7-9-16(10-8-15)17-12-21-19(22-17)18-6-4-5-11-23(18)20(25)14(2)26-3/h7-10,12,14,18H,4-6,11H2,1-3H3,(H,21,22)
InChIKey DPHXJCPCTWTSEN-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 371.499 g/mol
SMILES [nH]1c(cnc1C1N(CCCC1)C(C(C)SC)=O)-c1ccc(C(C)=O)cc1
SPLASH splash10-014i-0091000000-9d396947c85f967305af
Source of Spectrum WO2021074281A1
Wiley ID 1879997