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PENTADECYL-O-PHOSPHONOMETHYL-CHOLINE
SpectraBase Compound ID LrU2n32Ot35
InChI InChI=1S/C21H46NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-26-27(23,24)21-25-20-18-22(2,3)4/h5-21H2,1-4H3
InChIKey IUTXMHAFZIDHLX-UHFFFAOYSA-N
Mol Weight 407.6 g/mol
Molecular Formula C21H46NO4P
Exact Mass 407.316446 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7oQ9nqiXZDU
Name PENTADECYL-O-PHOSPHONOMETHYL-CHOLINE
Compound Number 8D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H46NO4P
InChI InChI=1S/C21H46NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-26-27(23,24)21-25-20-18-22(2,3)4/h5-21H2,1-4H3
InChIKey IUTXMHAFZIDHLX-UHFFFAOYSA-N
Literature Reference Author A.HOLY,B.OTOVA,M.BUDESINSKY,D.EMERSON,M.E.WILES
Literature Reference Citation J.MED.CHEM.,44,4462(2001)
Literature Reference DOI 10.1021/jm010974h
Molecular Weight 407.574 g/mol
Sample ID 45221
Solvent CDCl3