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(1R,5S,7R)-7-{2-[2,6-Bis(4,5-dihydrooxazol-2-yl)pyridin-4-yl]ethynyl}-1,3,5-trimethyl-3-azabicyclo[3.3.1]nonan-2-one
SpectraBase Compound ID Dybb6NPLrg7
InChI InChI=1S/C24H28N4O3/c1-22(12-23(2)14-24(3,13-22)21(29)27-15-23)5-4-16-10-17(19-25-6-8-30-19)28-18(11-16)20-26-7-9-31-20/h10-11H,6-9,12-15H2,1-3H3,(H,27,29)/t22-,23+,24-/m0/s1
InChIKey KQNIHILBIGTCAR-VXNXHJTFSA-N
Mol Weight 420.51 g/mol
Molecular Formula C24H28N4O3
Exact Mass 420.216141 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AHXSuJGveVb
Name (1R,5S,7R)-7-{2-[2,6-Bis(4,5-dihydrooxazol-2-yl)pyridin-4-yl]ethynyl}-1,3,5-trimethyl-3-azabicyclo[3.3.1]nonan-2-one
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Formula C24H28N4O3
InChI InChI=1S/C24H28N4O3/c1-22(12-23(2)14-24(3,13-22)21(29)27-15-23)5-4-16-10-17(19-25-6-8-30-19)28-18(11-16)20-26-7-9-31-20/h10-11H,6-9,12-15H2,1-3H3,(H,27,29)/t22-,23+,24-/m0/s1
InChIKey KQNIHILBIGTCAR-VXNXHJTFSA-N
Molecular Weight 420.513 g/mol
SMILES N1C[C@]2(C[C@@](C1=O)(C[C@](C2)(C#Cc1cc(C2=NCCO2)nc(C2=NCCO2)c1)C)C)C
SPLASH splash10-0007-9820100000-2fd529528fe2a4cdcf3b
Source of Spectrum F4-43-968-18
Synonyms 7-[2,6-Bis-(4,5-dihydro-oxazol-2-yl)-pyridin-4-ylethynyl]-1,5,7-trimethyl-3-aza-bicyclo[3.3.1]nonan-2-one
Wiley ID 1675400