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exo-2-(3,6-Bistrifluoromethylpyridazin-4-yl)-7-azabicyclo[2.2.1]heptane-7-carboxylic Acid Ethyl Ester
SpectraBase Compound ID 6Pfxwr6ZxbT
InChI InChI=1S/C15H15F6N3O2/c1-2-26-13(25)24-7-3-4-10(24)8(5-7)9-6-11(14(16,17)18)22-23-12(9)15(19,20)21/h6-8,10H,2-5H2,1H3/t7-,8+,10+/m1/s1
InChIKey ZQUJYHKDCWLPKP-WEDXCCLWSA-N
Mol Weight 383.29 g/mol
Molecular Formula C15H15F6N3O2
Exact Mass 383.106846 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IUJPIckK7y7
Name EXO-2-(3,6-BIS-TRIFLUOROMETHYL-PYRIDAZIN-4-YL)-7-AZABICYCLO-[2.2.1]-HEPTANE-7-CARBOXYLIC-ACID-ETHYLESTER
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H15F6N3O2
InChI InChI=1S/C15H15F6N3O2/c1-2-26-13(25)24-7-3-4-10(24)8(5-7)9-6-11(14(16,17)18)22-23-12(9)15(19,20)21/h6-8,10H,2-5H2,1H3/t7-,8+,10+/m1/s1
InChIKey ZQUJYHKDCWLPKP-WEDXCCLWSA-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 383.293 g/mol
Sample ID 43787
Solvent CDCl3