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3-(12-HYDROXYDODECYL)-1-[10-(1-OXIDOPYRIDIN-3-YL)-DECYL]-PYRIDINIUM-IODIDE

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3-(12-HYDROXYDODECYL)-1-[10-(1-OXIDOPYRIDIN-3-YL)-DECYL]-PYRIDINIUM-IODIDE
SpectraBase Compound ID CEBoMSEOYpw
InChI InChI=1S/C32H53N2O2.HI/c35-28-18-14-10-6-2-1-3-7-11-15-21-31-23-19-26-33(29-31)25-17-13-9-5-4-8-12-16-22-32-24-20-27-34(36)30-32;/h19-20,23-24,26-27,29-30,35H,1-18,21-22,25,28H2;1H/q+1;/p-1
InChIKey VPHVHNHMZJPHSQ-UHFFFAOYSA-M
Mol Weight 624.7 g/mol
Molecular Formula C32H53IN2O2
Exact Mass 624.315174 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6SPVcp43JlB
Name 3-(12-HYDROXYDODECYL)-1-[10-(1-OXIDOPYRIDIN-3-YL)-DECYL]-PYRIDINIUM-IODIDE
Compound Number 15F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H53IN2O2
InChI InChI=1S/C32H53N2O2.HI/c35-28-18-14-10-6-2-1-3-7-11-15-21-31-23-19-26-33(29-31)25-17-13-9-5-4-8-12-16-22-32-24-20-27-34(36)30-32;/h19-20,23-24,26-27,29-30,35H,1-18,21-22,25,28H2;1H/q+1;/p-1
InChIKey VPHVHNHMZJPHSQ-UHFFFAOYSA-M
Literature Reference Author A.GRUBE,C.TIMM,M.KOUCK
Literature Reference Citation EUR.J.ORG.CHEM.,1285(2006)
Molecular Weight 624.690 g/mol
Sample ID 43390
Solvent DMSO-D6