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2-(2-FLUORO-3-PYRIDYL)-9-AZABICYCLO-[4.2.1]-NON-2-ENE-FUMARIC-ACID-SALT
SpectraBase Compound ID FxSCe6p3rlH
InChI InChI=1S/C13H15FN2.C4H4O4/c14-13-11(5-2-8-15-13)10-4-1-3-9-6-7-12(10)16-9;5-3(6)1-2-4(7)8/h2,4-5,8-9,12,16H,1,3,6-7H2;1-2H,(H,5,6)(H,7,8)/p-1/b;2-1+/t9-,12-;/m1./s1
InChIKey MOWPNQYKBUIPSR-KORILMBXSA-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 FJry2kQsFsh
Name 2-(2-FLUORO-3-PYRIDYL)-9-AZABICYCLO-[4.2.1]-NON-2-ENE-FUMARIC-ACID-SALT
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H18FN2O4
InChI InChI=1S/C13H15FN2.C4H4O4/c14-13-11(5-2-8-15-13)10-4-1-3-9-6-7-12(10)16-9;5-3(6)1-2-4(7)8/h2,4-5,8-9,12,16H,1,3,6-7H2;1-2H,(H,5,6)(H,7,8)/p-1/b;2-1+/t9-,12-;/m1./s1
InChIKey MOWPNQYKBUIPSR-KORILMBXSA-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 UWVN25267