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1-(N,N-DIMETHYLAMMONIO-N-PROPYL-1-SULFONATE)-12-(N',N'-DIMETHYL-N'-ETHYLACETATE-AMMONIUM-BROMID)-DODECANE

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1-(N,N-DIMETHYLAMMONIO-N-PROPYL-1-SULFONATE)-12-(N',N'-DIMETHYL-N'-ETHYLACETATE-AMMONIUM-BROMID)-DODECANE
SpectraBase Compound ID CRg3EEppGxB
InChI InChI=1S/C22H47N2O5S.BrH/c1-23(2,19-16-20-30(26,27)28)17-14-12-10-8-6-7-9-11-13-15-18-24(3,4)21-22(25)29-5;/h6-21H2,1-5H3;1H/q+1;/p-1
InChIKey NYHMLRIGORDNDI-UHFFFAOYSA-M
Mol Weight 531.6 g/mol
Molecular Formula C22H47BrN2O5S
Exact Mass 530.238907 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A9mQpOtig9C
Name 1-(N,N-DIMETHYLAMMONIO-N-PROPYL-1-SULFONATE)-12-(N',N'-DIMETHYL-N'-ETHYLACETATE-AMMONIUM-BROMID)-DODECANE
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H47BrN2O5S
InChI InChI=1S/C22H47N2O5S.BrH/c1-23(2,19-16-20-30(26,27)28)17-14-12-10-8-6-7-9-11-13-15-18-24(3,4)21-22(25)29-5;/h6-21H2,1-5H3;1H/q+1;/p-1
InChIKey NYHMLRIGORDNDI-UHFFFAOYSA-M
Literature Reference Author S.SOUIRTI,M.BABOULENE
Literature Reference Citation CAN.J.CHEM.,79,1153(2001)
Literature Reference DOI 10.1139/cjc-79-7-1153
Molecular Weight 531.590 g/mol
Solvent D2O