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2-[N-(2-HYDROXYETHYL)-N,N-DIMETHYL-AMMONIUM]-ETHYL-BETA-APO-8'-CAROTENOATE-IODIDE
SpectraBase Compound ID 2RwPZ3W5Iym
InChI InChI=1S/C36H54NO3.HI/c1-29(17-12-18-31(3)22-23-34-32(4)21-14-24-36(34,6)7)15-10-11-16-30(2)19-13-20-33(5)35(39)40-28-26-37(8,9)25-27-38;/h10-13,15-20,22-23,38H,14,21,24-28H2,1-9H3;1H/q+1;/p-1/b11-10+,17-12+,19-13+,23-22+,29-15+,30-16+,31-18+,33-20+;
InChIKey WEQFUXNLZCXBIB-AOABYOJLSA-M
Mol Weight 675.7 g/mol
Molecular Formula C36H54INO3
Exact Mass 675.31484 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2OqJXi0LEjq
Name 2-[N-(2-HYDROXYETHYL)-N,N-DIMETHYL-AMMONIUM]-ETHYL-BETA-APO-8'-CAROTENOATE-IODIDE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H54INO3
InChI InChI=1S/C36H54NO3.HI/c1-29(17-12-18-31(3)22-23-34-32(4)21-14-24-36(34,6)7)15-10-11-16-30(2)19-13-20-33(5)35(39)40-28-26-37(8,9)25-27-38;/h10-13,15-20,22-23,38H,14,21,24-28H2,1-9H3;1H/q+1;/p-1/b11-10+,17-12+,19-13+,23-22+,29-15+,30-16+,31-18+,33-20+;
InChIKey WEQFUXNLZCXBIB-AOABYOJLSA-M
Literature Reference Author M.D.PUNGENTE,E.JUBELI,C.L.OPSTAD,M.A.KAWAZ,N.BARAKAT,T.IBRAH IM,N.A.KHALIQUE,L.RA
Literature Reference Citation MOLECULES,17,3484(2012)
Literature Reference DOI 10.3390/molecules17033484
Molecular Weight 675.734 g/mol
Sample ID 1652
Solvent CDCl3