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1-(2-(5-(2,5-difluorophenyl)-1H-imidazol-2-yl)piperidin-1-yl)-2-(methylthio)propan-1-one
SpectraBase Compound ID 4uesPmcvX2n
InChI InChI=1S/C18H21F2N3OS/c1-11(25-2)18(24)23-8-4-3-5-16(23)17-21-10-15(22-17)13-9-12(19)6-7-14(13)20/h6-7,9-11,16H,3-5,8H2,1-2H3,(H,21,22)
InChIKey SSIDUYOLQKKSCG-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 4llB65ynXOE
Name 1-(2-(5-(2,5-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)23-8-4-3-5-16(23)17-21-10-15(22-17)13-9-12(19)6-7-14(13)20/h6-7,9-11,16H,3-5,8H2,1-2H3,(H,21,22)
InChIKey SSIDUYOLQKKSCG-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(ccc(F)c1)F
SPLASH splash10-03di-0091000000-b79d0a5b3a033c4ec1eb
Source of Spectrum WO2021074281A1
Wiley ID 1880042