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3-(12-HYDROXYDODECYL)-1-[11-(1-OXIDOPYRIDIN-3-YL)-UNDECYL]-PYRIDINIUM-IODIDE

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3-(12-HYDROXYDODECYL)-1-[11-(1-OXIDOPYRIDIN-3-YL)-UNDECYL]-PYRIDINIUM-IODIDE
SpectraBase Compound ID H0V6COLy7ZW
InChI InChI=1S/C33H55N2O2.HI/c36-29-19-15-11-7-2-1-4-8-12-16-22-32-24-20-27-34(30-32)26-18-14-10-6-3-5-9-13-17-23-33-25-21-28-35(37)31-33;/h20-21,24-25,27-28,30-31,36H,1-19,22-23,26,29H2;1H/q+1;/p-1
InChIKey DIOZUSIWJRSTBB-UHFFFAOYSA-M
Mol Weight 638.7 g/mol
Molecular Formula C33H55IN2O2
Exact Mass 638.330824 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LdbG3z9OW44
Name 3-(12-HYDROXYDODECYL)-1-[11-(1-OXIDOPYRIDIN-3-YL)-UNDECYL]-PYRIDINIUM-IODIDE
Compound Number 15I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H55IN2O2
InChI InChI=1S/C33H55N2O2.HI/c36-29-19-15-11-7-2-1-4-8-12-16-22-32-24-20-27-34(30-32)26-18-14-10-6-3-5-9-13-17-23-33-25-21-28-35(37)31-33;/h20-21,24-25,27-28,30-31,36H,1-19,22-23,26,29H2;1H/q+1;/p-1
InChIKey DIOZUSIWJRSTBB-UHFFFAOYSA-M
Literature Reference Author A.GRUBE,C.TIMM,M.KOUCK
Literature Reference Citation EUR.J.ORG.CHEM.,1285(2006)
Molecular Weight 638.716 g/mol
Sample ID 43393
Solvent DMSO-D6