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1-(2-(5-(3,4-difluorophenyl)-1H-imidazol-2-yl)piperidin-1-yl)-2-methylbut-3-en-1-one
SpectraBase Compound ID 82W6PPdfvjZ
InChI InChI=1S/C19H21F2N3O/c1-3-12(2)19(25)24-9-5-4-6-17(24)18-22-11-16(23-18)13-7-8-14(20)15(21)10-13/h3,7-8,10-12,17H,1,4-6,9H2,2H3,(H,22,23)
InChIKey KFPADGJYTOJYFQ-UHFFFAOYSA-N
Mol Weight 345.39 g/mol
Molecular Formula C19H21F2N3O
Exact Mass 345.165269 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Mn1uzbO6Gb
Name 1-(2-(5-(3,4-difluorophenyl)-1H-imidazol-2-yl)piperidin-1-yl)-2-methylbut-3-en-1-one
Appearance Pale yellow solid
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Formula C19H21F2N3O
InChI InChI=1S/C19H21F2N3O/c1-3-12(2)19(25)24-9-5-4-6-17(24)18-22-11-16(23-18)13-7-8-14(20)15(21)10-13/h3,7-8,10-12,17H,1,4-6,9H2,2H3,(H,22,23)
InChIKey KFPADGJYTOJYFQ-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 345.394 g/mol
SMILES [nH]1c(cnc1C1N(CCCC1)C(C(C=C)C)=O)-c1cc(c(F)cc1)F
SPLASH splash10-08fu-2390000000-7385d207b1cd7c34cdbb
Sample Comments Isomer 2
Source of Spectrum WO2021074281A1
Wiley ID 1880039