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1-(2-(5-(4-chlorophenyl)-1H-imidazol-2-yl)piperidin-1-yl)-2-(methylthio)propan-1-one
SpectraBase Compound ID 9O88abJ7vKz
InChI InChI=1S/C18H22ClN3OS/c1-12(24-2)18(23)22-10-4-3-5-16(22)17-20-11-15(21-17)13-6-8-14(19)9-7-13/h6-9,11-12,16H,3-5,10H2,1-2H3,(H,20,21)
InChIKey RXQNMPXPOGLQKM-UHFFFAOYSA-N
Mol Weight 363.91 g/mol
Molecular Formula C18H22ClN3OS
Exact Mass 363.117211 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5i7ERbK6dAO
Name 1-(2-(5-(4-chlorophenyl)-1H-imidazol-2-yl)piperidin-1-yl)-2-(methylthio)propan-1-one
Appearance White solid
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Formula C18H22ClN3OS
InChI InChI=1S/C18H22ClN3OS/c1-12(24-2)18(23)22-10-4-3-5-16(22)17-20-11-15(21-17)13-6-8-14(19)9-7-13/h6-9,11-12,16H,3-5,10H2,1-2H3,(H,20,21)
InChIKey RXQNMPXPOGLQKM-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 363.907 g/mol
SMILES [nH]1c(cnc1C1N(CCCC1)C(C(C)SC)=O)-c1ccc(Cl)cc1
SPLASH splash10-03di-0091000000-fd935561d43481176ddf
Source of Spectrum WO2021074281A1
Wiley ID 1880091