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3-(10-HYDROXYDECYL)-1-[11-(1-OXIDOPYRIDIN-3-YL)-UNDECYL]-PYRIDINIUM-IODIDE

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3-(10-HYDROXYDECYL)-1-[11-(1-OXIDOPYRIDIN-3-YL)-UNDECYL]-PYRIDINIUM-IODIDE
SpectraBase Compound ID 5ZGxDl058nT
InChI InChI=1S/C31H51N2O2.HI/c34-27-17-13-9-5-3-7-10-14-20-30-22-18-25-32(28-30)24-16-12-8-4-1-2-6-11-15-21-31-23-19-26-33(35)29-31;/h18-19,22-23,25-26,28-29,34H,1-17,20-21,24,27H2;1H/q+1;/p-1
InChIKey OCBMITMVAVPILV-UHFFFAOYSA-M
Mol Weight 610.7 g/mol
Molecular Formula C31H51IN2O2
Exact Mass 610.299524 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4U6NC8MRGpC
Name 3-(10-HYDROXYDECYL)-1-[11-(1-OXIDOPYRIDIN-3-YL)-UNDECYL]-PYRIDINIUM-IODIDE
Compound Number 15K
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H51IN2O2
InChI InChI=1S/C31H51N2O2.HI/c34-27-17-13-9-5-3-7-10-14-20-30-22-18-25-32(28-30)24-16-12-8-4-1-2-6-11-15-21-31-23-19-26-33(35)29-31;/h18-19,22-23,25-26,28-29,34H,1-17,20-21,24,27H2;1H/q+1;/p-1
InChIKey OCBMITMVAVPILV-UHFFFAOYSA-M
Literature Reference Author A.GRUBE,C.TIMM,M.KOUCK
Literature Reference Citation EUR.J.ORG.CHEM.,1285(2006)
Molecular Weight 610.663 g/mol
Sample ID 43395
Solvent DMSO-D6