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METHOXY-ETHYLENEGLYCOL-[N,N',N,N,N,N-HEXAPROPYL-HEXA-(AMINOETHYL)-AMINO]-MALONAMIDEESTER-QUATERNARY-METHYL-AMMONIUM-SALT;ME1N6(+)C3

View entire compound with spectra: 1 NMR

METHOXY-ETHYLENEGLYCOL-[N,N',N,N,N,N-HEXAPROPYL-HEXA-(AMINOETHYL)-AMINO]-MALONAMIDEESTER-QUATERNARY-METHYL-AMMONIUM-SALT;ME1N6(+)C3
SpectraBase Compound ID 4qneVEY9vHX
InChI InChI=1S/C39H86N6O4.5HI/c1-13-20-41(7,21-14-2)27-29-43(9,23-16-4)31-33-45(11,25-18-6)34-32-44(10,24-17-5)30-28-42(8,22-15-3)26-19-40-38(46)37-39(47)49-36-35-48-12;;;;;/h13-37H2,1-12H3;5*1H/q+4;;;;;/p-4
InChIKey YOCGPDXPVIXNDS-UHFFFAOYSA-J
Mol Weight 1338.68537 g/mol
Molecular Formula C39H87I5N6O4
Exact Mass 1338.20123 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ihZ4r8dG5l
Name METHOXY-ETHYLENEGLYCOL-[N,N',N,N,N,N-HEXAPROPYL-HEXA-(AMINOETHYL)-AMINO]-MALONAMIDEESTER-QUATERNARY-METHYL-AMMONIUM-SALT;ME1N6(+)C3
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H87I5N6O4
InChI InChI=1S/C39H86N6O4.5HI/c1-13-20-41(7,21-14-2)27-29-43(9,23-16-4)31-33-45(11,25-18-6)34-32-44(10,24-17-5)30-28-42(8,22-15-3)26-19-40-38(46)37-39(47)49-36-35-48-12;;;;;/h13-37H2,1-12H3;5*1H/q+4;;;;;/p-4
InChIKey YOCGPDXPVIXNDS-UHFFFAOYSA-J
Literature Reference Author S.THOTA,M.WANG,S.JEON,S.MARAGANI,M.R.HAMBLIN,L.Y.CHIANG
Literature Reference Citation MOLECULES,17,5225(2012)
Literature Reference DOI 10.3390/molecules17055225
Molecular Weight 1338.680 g/mol
Sample ID 1109
Solvent DMSO-D6