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O-PHOSPHONATOMETHYL-CHOLINE-MONOHYDRATE
SpectraBase Compound ID AxyUZ1KDZWQ
InChI InChI=1S/C6H16NO4P/c1-7(2,3)4-5-11-6-12(8,9)10/h4-6H2,1-3H3,(H-,8,9,10)
InChIKey NVMWLDBNOHPNSO-UHFFFAOYSA-N
Mol Weight 197.17 g/mol
Molecular Formula C6H16NO4P
Exact Mass 197.081695 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bs7maYw7AlE
Name O-PHOSPHONATOMETHYL-CHOLINE-MONOHYDRATE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H15NO4P
InChI InChI=1S/C6H16NO4P/c1-7(2,3)4-5-11-6-12(8,9)10/h4-6H2,1-3H3,(H-,8,9,10)
InChIKey NVMWLDBNOHPNSO-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 196.163 g/mol
Sample ID 45217
Solvent D2O