John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=6nn1vqOwug3 SpectraBase Spectrum ID=293W21jCx93

(accessed ).
1-[[[(TRIMETHYLAMMONIUM)-ETHOXY]-PHOSPHONYL]-OXY]-16-CHLOROHEXADECANE
SpectraBase Compound ID 6nn1vqOwug3
InChI InChI=1S/C21H45ClNO4P/c1-23(2,3)19-21-27-28(24,25)26-20-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-22/h4-21H2,1-3H3
InChIKey LJQXOJNYPGLJSR-UHFFFAOYSA-N
Mol Weight 442.0 g/mol
Molecular Formula C21H45ClNO4P
Exact Mass 441.277475 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 293W21jCx93
Name 1-[[[(TRIMETHYLAMMONIUM)-ETHOXY]-PHOSPHONYL]-OXY]-16-CHLOROHEXADECANE
Compound Number 8C
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H45ClNO4P
InChI InChI=1S/C21H45ClNO4P/c1-23(2,3)19-21-27-28(24,25)26-20-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-22/h4-21H2,1-3H3
InChIKey LJQXOJNYPGLJSR-UHFFFAOYSA-N
Literature Reference Author Q.LU,R.P.UBILLAS,Y.ZHOU,L.G.DUBENKO,J.M.DENER,J.LITVAK,P.W.P HUAN,M.FLORES,Z.YE,R
Literature Reference Citation J.NAT.PROD.,62,824(1999)
Literature Reference DOI 10.1021/np980425n
Solvent CD3OD
Source File Reference UWGE1748
SpectraBase Batch ID 18MsGI5yQWo