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exo-2-(3,6-Dipyridin-2-ylpyridazin-4-yl)-7-azabicyclo[2.2.1]heptane-7-carboxylic Acid Ethyl Ester
SpectraBase Compound ID D4CyA8sSMYH
InChI InChI=1S/C23H23N5O2/c1-2-30-23(29)28-15-9-10-21(28)16(13-15)17-14-20(18-7-3-5-11-24-18)26-27-22(17)19-8-4-6-12-25-19/h3-8,11-12,14-16,21H,2,9-10,13H2,1H3/t15-,16+,21+/m1/s1
InChIKey SIFZKMOAVCGHRU-XFQAVAEZSA-N
Mol Weight 401.47 g/mol
Molecular Formula C23H23N5O2
Exact Mass 401.185175 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2JBny5DXmhL
Name EXO-2-(3,6-DIPYRIDIN-2-YL-PYRIDAZIN-4-YL)-7-AZABICYCLO-[2.2.1]-HEPTANE-7-CARBOXYLIC-ACID-ETHYLESTER
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H23N5O2
InChI InChI=1S/C23H23N5O2/c1-2-30-23(29)28-15-9-10-21(28)16(13-15)17-14-20(18-7-3-5-11-24-18)26-27-22(17)19-8-4-6-12-25-19/h3-8,11-12,14-16,21H,2,9-10,13H2,1H3/t15-,16+,21+/m1/s1
InChIKey SIFZKMOAVCGHRU-XFQAVAEZSA-N
Literature Reference Author D.CHE,T.WEGGE,M.T.STUBBS,G.SEITZ,H.MEIER,C.METHFESSEL
Literature Reference Citation J.MED.CHEM.,44,47(2001)
Literature Reference DOI 10.1021/jm000949w
Molecular Weight 401.468 g/mol
Sample ID 43788
Solvent CDCl3