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2-[N,N-DI-(2-HYDROXYETHYL),N-METHYL-AMMONIUM]-ETHYL-BETA-APO-8'-CAROTENOATE-IODIDE
SpectraBase Compound ID 2LhMyWqKrb2
InChI InChI=1S/C37H56NO4.HI/c1-30(16-11-17-32(3)21-22-35-33(4)20-13-23-37(35,6)7)14-9-10-15-31(2)18-12-19-34(5)36(41)42-29-26-38(8,24-27-39)25-28-40;/h9-12,14-19,21-22,39-40H,13,20,23-29H2,1-8H3;1H/q+1;/p-1/b10-9+,16-11+,18-12+,22-21+,30-14+,31-15+,32-17+,34-19+;
InChIKey WCTRZHATJVAQDH-DIRBZHGMSA-M
Mol Weight 705.8 g/mol
Molecular Formula C37H56INO4
Exact Mass 705.325404 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E1U49lSjard
Name 2-[N,N-DI-(2-HYDROXYETHYL),N-METHYL-AMMONIUM]-ETHYL-BETA-APO-8'-CAROTENOATE-IODIDE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H56INO4
InChI InChI=1S/C37H56NO4.HI/c1-30(16-11-17-32(3)21-22-35-33(4)20-13-23-37(35,6)7)14-9-10-15-31(2)18-12-19-34(5)36(41)42-29-26-38(8,24-27-39)25-28-40;/h9-12,14-19,21-22,39-40H,13,20,23-29H2,1-8H3;1H/q+1;/p-1/b10-9+,16-11+,18-12+,22-21+,30-14+,31-15+,32-17+,34-19+;
InChIKey WCTRZHATJVAQDH-DIRBZHGMSA-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 705.760 g/mol
Sample ID 1655
Solvent CDCl3