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2,2-dimethyl-1-(2-(5-(p-tolyl)-1H-imidazol-2-yl)piperidin-1-yl)but-3-en-1-one
SpectraBase Compound ID 6hMoegbGrlx
InChI InChI=1S/C21H27N3O/c1-5-21(3,4)20(25)24-13-7-6-8-18(24)19-22-14-17(23-19)16-11-9-15(2)10-12-16/h5,9-12,14,18H,1,6-8,13H2,2-4H3,(H,22,23)
InChIKey HMYCSFIQNXBSEW-UHFFFAOYSA-N
Mol Weight 337.47 g/mol
Molecular Formula C21H27N3O
Exact Mass 337.215413 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 76wsfYNUlAw
Name 2,2-dimethyl-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 C21H27N3O
InChI InChI=1S/C21H27N3O/c1-5-21(3,4)20(25)24-13-7-6-8-18(24)19-22-14-17(23-19)16-11-9-15(2)10-12-16/h5,9-12,14,18H,1,6-8,13H2,2-4H3,(H,22,23)
InChIKey HMYCSFIQNXBSEW-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 337.467 g/mol
SMILES [nH]1c(cnc1C1N(C(C(C=C)(C)C)=O)CCCC1)-c1ccc(cc1)C
SPLASH splash10-00dl-0980000000-f9afbeb65c6554f37318
Source of Spectrum WO2021074281A1
Wiley ID 1880065