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2-(2-FLUORO-5-PYRIDYL)-9-AZABICYCLO-[4.2.1]-NON-2-ENE-FUMARIC-ACID-SALT
SpectraBase Compound ID 4xkGVLPUGIM
InChI InChI=1S/C13H15FN2.C4H4O4/c14-13-7-4-9(8-15-13)11-3-1-2-10-5-6-12(11)16-10;5-3(6)1-2-4(7)8/h3-4,7-8,10,12,16H,1-2,5-6H2;1-2H,(H,5,6)(H,7,8)/p-1/b;2-1+/t10-,12-;/m1./s1
InChIKey ZLJVTWKRHHNQNS-KCNVDIGLSA-M
Mol Weight 333.34 g/mol
Molecular Formula C17H18FN2O4
Exact Mass 333.12506 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FGsgy18MieR
Name 2-(2-FLUORO-5-PYRIDYL)-9-AZABICYCLO-[4.2.1]-NON-2-ENE-FUMARIC-ACID-SALT
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H18FN2O4
InChI InChI=1S/C13H15FN2.C4H4O4/c14-13-7-4-9(8-15-13)11-3-1-2-10-5-6-12(11)16-10;5-3(6)1-2-4(7)8/h3-4,7-8,10,12,16H,1-2,5-6H2;1-2H,(H,5,6)(H,7,8)/p-1/b;2-1+/t10-,12-;/m1./s1
InChIKey ZLJVTWKRHHNQNS-KCNVDIGLSA-M
Literature Reference Author A.SUTHERLAND,T.GALLAGHER,C.G.V.SHARPLES,S.WONNACOTT
Literature Reference Citation J.ORG.CHEM.,68,2475(2003)
Literature Reference DOI 10.1021/jo026698b
Molecular Weight 333.339 g/mol
Solvent CD3OD
Source File Reference UWVN25264