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2-(ethylthio)-1-(2-(5-(p-tolyl)-1H-imidazol-2-yl)piperidin-1-yl)propan-1-one
SpectraBase Compound ID HfR7s5IgAAJ
InChI InChI=1S/C20H27N3OS/c1-4-25-15(3)20(24)23-12-6-5-7-18(23)19-21-13-17(22-19)16-10-8-14(2)9-11-16/h8-11,13,15,18H,4-7,12H2,1-3H3,(H,21,22)
InChIKey UVCHFRMAFXPGJG-UHFFFAOYSA-N
Mol Weight 357.52 g/mol
Molecular Formula C20H27N3OS
Exact Mass 357.187484 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ev8ObhvyXAB
Name 2-(ethylthio)-1-(2-(5-(p-tolyl)-1H-imidazol-2-yl)piperidin-1-yl)propan-1-one
Appearance White solid
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Formula C20H27N3OS
InChI InChI=1S/C20H27N3OS/c1-4-25-15(3)20(24)23-12-6-5-7-18(23)19-21-13-17(22-19)16-10-8-14(2)9-11-16/h8-11,13,15,18H,4-7,12H2,1-3H3,(H,21,22)
InChIKey UVCHFRMAFXPGJG-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 357.516 g/mol
SMILES [nH]1c(cnc1C1N(C(C(SCC)C)=O)CCCC1)-c1ccc(cc1)C
SPLASH splash10-0006-0191000000-36f2d94c503d38050536
Sample Comments Isomer 1
Source of Spectrum WO2021074281A1
Wiley ID 1879999