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1-[(S)-3,4-BIS-(10,12-TRICOSADIYNOYLOXY)-PROPYL]-PHOSPHONIC-ACID-2-(N,N,N-TRIMETHYLAMMONIUM)-ETHYLESTER
SpectraBase Compound ID La1vp6mmVXv
InChI InChI=1S/C54H92NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-53(56)60-50-52(51-63(58,59)61-49-48-55(3,4)5)62-54(57)47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h52H,6-23,32-51H2,1-5H3/t52-/m1/s1
InChIKey LWTGFEYOJGCJFD-OIVUAWODSA-N
Mol Weight 898.3 g/mol
Molecular Formula C54H92NO7P
Exact Mass 897.661141 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BlmuXBBJ9Gf
Name 1-[(S)-3,4-BIS-(10,12-TRICOSADIYNOYLOXY)-PROPYL]-PHOSPHONIC-ACID-2-(N,N,N-TRIMETHYLAMMONIUM)-ETHYLESTER
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H92NO7P
InChI InChI=1S/C54H92NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-53(56)60-50-52(51-63(58,59)61-49-48-55(3,4)5)62-54(57)47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h52H,6-23,32-51H2,1-5H3/t52-/m1/s1
InChIKey LWTGFEYOJGCJFD-OIVUAWODSA-N
Literature Reference Author B.N.THOMAS,C.M.LINDEMANN,R.C.CORCORAN,C.L.COTANT,J.E.KIRSCH, P.J.PERSICHINI
Literature Reference Citation J.AM.CHEM.SOC.,124,1227(2002)
Literature Reference DOI 10.1021/ja012137a
Solvent CDCl3
Source File Reference UWLU47162