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3,9-DIMETHYL-2,4,8,10-TETRAAZATETRACYCLO-[9.2.1.0(5,13).0(7,12)]-TETRADECA-2,8-DIENYLIUM-DIACETATE
SpectraBase Compound ID KrVjKa0BaF6
InChI InChI=1S/C12H18N4.2C2H4O2/c1-5-13-7-3-9-12-10(16-6(2)15-9)4-8(14-5)11(7)12;2*1-2(3)4/h7-12H,3-4H2,1-2H3,(H,13,14)(H,15,16);2*1H3,(H,3,4)/t7-,8+,9+,10-,11?,12?;;
InChIKey VLSBTISSCSCOFF-DNJBWVHQSA-N
Mol Weight 338.408 g/mol
Molecular Formula C16H26N4O4
Exact Mass 338.195405 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9RrsdgZx8g7
Name 3,9-DIMETHYL-2,4,8,10-TETRAAZATETRACYCLO-[9.2.1.0(5,13).0(7,12)]-TETRADECA-2,8-DIENYLIUM-DIACETATE
Compound Number 41
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H26N4O4
InChI InChI=1S/C12H18N4.2C2H4O2/c1-5-13-7-3-9-12-10(16-6(2)15-9)4-8(14-5)11(7)12;2*1-2(3)4/h7-12H,3-4H2,1-2H3,(H,13,14)(H,15,16);2*1H3,(H,3,4)/t7-,8+,9+,10-,11?,12?;;
InChIKey VLSBTISSCSCOFF-DNJBWVHQSA-N
Literature Reference Author K.EXNER,M.HEIZMANN,F.YANG,M.KEGEL,M.KELLER,L.KNOTHE,B.GROSSM ANN,J.HEINZE,H.PRINZ
Literature Reference Citation EUR.J.ORG.CHEM.,1311(2005)
Molecular Weight 338.407 g/mol
Sample ID 30899
Solvent CDCl3