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1-(2-(1-propionyl-4-(p-tolyl)-1H-imidazol-2-yl)piperidin-1-yl)propan-1-one
SpectraBase Compound ID AYb9gXafzej
InChI InChI=1S/C21H27N3O2/c1-4-19(25)23-13-7-6-8-18(23)21-22-17(14-24(21)20(26)5-2)16-11-9-15(3)10-12-16/h9-12,14,18H,4-8,13H2,1-3H3
InChIKey QZQMVQNZMHSFAQ-UHFFFAOYSA-N
Mol Weight 353.47 g/mol
Molecular Formula C21H27N3O2
Exact Mass 353.210327 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H5VsF0JTcwe
Name 1-(2-(1-propionyl-4-(p-tolyl)-1H-imidazol-2-yl)piperidin-1-yl)propan-1-one
Appearance White solid
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Exact Mass 353.210327119 u
Formula C21H27N3O2
InChI InChI=1S/C21H27N3O2/c1-4-19(25)23-13-7-6-8-18(23)21-22-17(14-24(21)20(26)5-2)16-11-9-15(3)10-12-16/h9-12,14,18H,4-8,13H2,1-3H3
InChIKey QZQMVQNZMHSFAQ-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 353.466 g/mol
Quality 120
SMILES C(CC)(=O)N1C(=NC(=C1)C1=CC=C(C=C1)C)C1N(CCCC1)C(CC)=O
SPLASH splash10-0006-0290000000-6bb149b97eb6bfe7e1b7
Source of Spectrum WO2022171653A1
Wiley ID 1892735