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1-(2-(5-(2,3-difluorophenyl)-1H-imidazol-2-yl)piperidin-1-yl)-2-(methylthio)propan-1-one
SpectraBase Compound ID Kr8q8oaJzM7
InChI InChI=1S/C18H21F2N3OS/c1-11(25-2)18(24)23-9-4-3-8-15(23)17-21-10-14(22-17)12-6-5-7-13(19)16(12)20/h5-7,10-11,15H,3-4,8-9H2,1-2H3,(H,21,22)
InChIKey YGDSTJJQKCWBGY-UHFFFAOYSA-N
Mol Weight 365.44 g/mol
Molecular Formula C18H21F2N3OS
Exact Mass 365.13734 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9tKgPlyHPVZ
Name 1-(2-(5-(2,3-difluorophenyl)-1H-imidazol-2-yl)piperidin-1-yl)-2-(methylthio)propan-1-one
Appearance Pale yellow solid
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Formula C18H21F2N3OS
InChI InChI=1S/C18H21F2N3OS/c1-11(25-2)18(24)23-9-4-3-8-15(23)17-21-10-14(22-17)12-6-5-7-13(19)16(12)20/h5-7,10-11,15H,3-4,8-9H2,1-2H3,(H,21,22)
InChIKey YGDSTJJQKCWBGY-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 365.443 g/mol
SMILES [nH]1c(cnc1C1N(CCCC1)C(C(C)SC)=O)-c1c(c(ccc1)F)F
SPLASH splash10-03di-0091000000-2fef4c8c47b9825a64d7
Source of Spectrum WO2021074281A1
Wiley ID 1880043