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2-methyl-1-(2-(5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl)piperidin-1-yl)butan-1-one
SpectraBase Compound ID IrSWCdNM3hT
InChI InChI=1S/C18H25N3OS/c1-4-12(2)18(22)21-10-6-5-7-15(21)17-19-11-14(20-17)16-9-8-13(3)23-16/h8-9,11-12,15H,4-7,10H2,1-3H3,(H,19,20)
InChIKey FXWPPKOHIYOOHS-UHFFFAOYSA-N
Mol Weight 331.48 g/mol
Molecular Formula C18H25N3OS
Exact Mass 331.171834 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IRj62Ld61lt
Name 2-methyl-1-(2-(5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl)piperidin-1-yl)butan-1-one
Appearance White solid
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Formula C18H25N3OS
InChI InChI=1S/C18H25N3OS/c1-4-12(2)18(22)21-10-6-5-7-15(21)17-19-11-14(20-17)16-9-8-13(3)23-16/h8-9,11-12,15H,4-7,10H2,1-3H3,(H,19,20)
InChIKey FXWPPKOHIYOOHS-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 331.478 g/mol
SMILES [nH]1c(cnc1C1N(C(C(C)CC)=O)CCCC1)-c1sc(cc1)C
SPLASH splash10-0002-1090000000-1f1e6c1296db88051917
Source of Spectrum WO2021074281A1
Wiley ID 1880030