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2-(4-(2-(1-(2-methylbutanoyl)piperidin-2-yl)-1H-imidazol-5-yl)phenyl)acetonitrile
SpectraBase Compound ID KvjtB4Mtn5G
InChI InChI=1S/C21H26N4O/c1-3-15(2)21(26)25-13-5-4-6-19(25)20-23-14-18(24-20)17-9-7-16(8-10-17)11-12-22/h7-10,14-15,19H,3-6,11,13H2,1-2H3,(H,23,24)
InChIKey YDJICVJBJKIWRS-UHFFFAOYSA-N
Mol Weight 350.47 g/mol
Molecular Formula C21H26N4O
Exact Mass 350.210661 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FIvSfUqba9
Name 2-(4-(2-(1-(2-methylbutanoyl)piperidin-2-yl)-1H-imidazol-5-yl)phenyl)acetonitrile
Appearance White solid
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Formula C21H26N4O
InChI InChI=1S/C21H26N4O/c1-3-15(2)21(26)25-13-5-4-6-19(25)20-23-14-18(24-20)17-9-7-16(8-10-17)11-12-22/h7-10,14-15,19H,3-6,11,13H2,1-2H3,(H,23,24)
InChIKey YDJICVJBJKIWRS-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 350.466 g/mol
SMILES [nH]1c(cnc1C1N(C(C(C)CC)=O)CCCC1)-c1ccc(cc1)CC#N
SPLASH splash10-014i-1090000000-0ccb68d64d0c8943ca78
Source of Spectrum WO2021074281A1
Wiley ID 1880021