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2-methyl-1-(2-(5-(p-tolyl)-1H-imidazol-2-yl)piperidin-1-yl)but-3-en-1-one
SpectraBase Compound ID CsUaWQZjrze
InChI InChI=1S/C20H25N3O/c1-4-15(3)20(24)23-12-6-5-7-18(23)19-21-13-17(22-19)16-10-8-14(2)9-11-16/h4,8-11,13,15,18H,1,5-7,12H2,2-3H3,(H,21,22)
InChIKey CJHVHUZJRQISKW-UHFFFAOYSA-N
Mol Weight 323.44 g/mol
Molecular Formula C20H25N3O
Exact Mass 323.199762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GwaBEsxyDQ4
Name 2-methyl-1-(2-(5-(p-tolyl)-1H-imidazol-2-yl)piperidin-1-yl)but-3-en-1-one
Appearance White solid
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Formula C20H25N3O
InChI InChI=1S/C20H25N3O/c1-4-15(3)20(24)23-12-6-5-7-18(23)19-21-13-17(22-19)16-10-8-14(2)9-11-16/h4,8-11,13,15,18H,1,5-7,12H2,2-3H3,(H,21,22)
InChIKey CJHVHUZJRQISKW-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 323.440 g/mol
SMILES [nH]1c(cnc1C1N(C(C(C)C=C)=O)CCCC1)-c1ccc(cc1)C
SPLASH splash10-006x-0790000000-c9d017b042dd100e7858
Sample Comments Isomer 2
Source of Spectrum WO2021074281A1
Wiley ID 1880062