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2-(methylthio)-1-(2-(5-phenylimidazol-2-yl)piperidin-1-yl)propan-1-one
SpectraBase Compound ID 165aSbq97wg
InChI InChI=1S/C18H23N3OS/c1-13(23-2)18(22)21-11-7-6-10-16(21)17-19-12-15(20-17)14-8-4-3-5-9-14/h3-5,8-9,12-13,16H,6-7,10-11H2,1-2H3,(H,19,20)
InChIKey RUKCLFWEPPBUIU-UHFFFAOYSA-N
Mol Weight 329.46 g/mol
Molecular Formula C18H23N3OS
Exact Mass 329.156184 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cab8xrWiB2t
Name 2-(methylthio)-1-(2-(5-phenylimidazol-2-yl)piperidin-1-yl)propan-1-one
Appearance White solid
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Formula C18H23N3OS
InChI InChI=1S/C18H23N3OS/c1-13(23-2)18(22)21-11-7-6-10-16(21)17-19-12-15(20-17)14-8-4-3-5-9-14/h3-5,8-9,12-13,16H,6-7,10-11H2,1-2H3,(H,19,20)
InChIKey RUKCLFWEPPBUIU-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 329.462 g/mol
SMILES [nH]1c(ncc1-c1ccccc1)C1N(C(C(C)SC)=O)CCCC1
SPLASH splash10-004i-9370000000-c387539a76e4027308b8
Source of Spectrum WO2021074281A1
Wiley ID 1880058