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2-methyl-2-(methylthio)-1-(2-(5-(p-tolyl)-1H-imidazol-2-yl)piperidin-1-yl)propan-1-one
SpectraBase Compound ID BlB3qS1B0EM
InChI InChI=1S/C20H27N3OS/c1-14-8-10-15(11-9-14)16-13-21-18(22-16)17-7-5-6-12-23(17)19(24)20(2,3)25-4/h8-11,13,17H,5-7,12H2,1-4H3,(H,21,22)
InChIKey UDSJMKFICGQPCB-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 2xNTO7r0s3h
Name 2-methyl-2-(methylthio)-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/c1-14-8-10-15(11-9-14)16-13-21-18(22-16)17-7-5-6-12-23(17)19(24)20(2,3)25-4/h8-11,13,17H,5-7,12H2,1-4H3,(H,21,22)
InChIKey UDSJMKFICGQPCB-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 357.516 g/mol
SMILES [nH]1c(cnc1C1N(C(C(SC)(C)C)=O)CCCC1)-c1ccc(cc1)C
SPLASH splash10-0006-0190000000-9290781b4c6e57b003a6
Source of Spectrum WO2021074281A1
Wiley ID 1880071