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1-(2-(5-bromo-1H-imidazol-2-yl)piperidin-1-yl)-2-methylbutan-1-one
SpectraBase Compound ID 5TDT25iPl17
InChI InChI=1S/C13H20BrN3O/c1-3-9(2)13(18)17-7-5-4-6-10(17)12-15-8-11(14)16-12/h8-10H,3-7H2,1-2H3,(H,15,16)
InChIKey JGMIJKQVSLWSPE-UHFFFAOYSA-N
Mol Weight 314.23 g/mol
Molecular Formula C13H20BrN3O
Exact Mass 313.078975 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IVO6F947n0G
Name 1-(2-(5-bromo-1H-imidazol-2-yl)piperidin-1-yl)-2-methylbutan-1-one
Appearance White solid
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Formula C13H20BrN3O
InChI InChI=1S/C13H20BrN3O/c1-3-9(2)13(18)17-7-5-4-6-10(17)12-15-8-11(14)16-12/h8-10H,3-7H2,1-2H3,(H,15,16)
InChIKey JGMIJKQVSLWSPE-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 314.227 g/mol
SMILES [nH]1c(cnc1C1N(CCCC1)C(C(CC)C)=O)Br
SPLASH splash10-0059-1190000000-6c888424b6ab70c28c2f
Source of Spectrum WO2021074281A1
Wiley ID 1880018