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Back ChemicalBook Home>CAS DataBase List>4826-71-5More Spectrum> Calcium phosphorylcholine chloride(4826-71-5) 1H NMR

4826-71-5

Calcium phosphorylcholine chloride(4826-71-5) 1H NMR

Molecular FormulaC5H13NO4P.Ca.Cl

Molecular Weight257.67

InChIInChI=1S/C5H14NO4P.Ca.ClH/c1-6(2,3)4-5-10-11(7,8)9;;/h4-5H2,1-3H3,(H-,7,8,9);;1H/q;+2;/p-2

InChIKey ICVPTJCCKTXCDT-UHFFFAOYSA-L

SmilesC(COP([O-])([O-])=O)[N+](C)(C)C.[Ca+2].[Cl-]

400 MHz in D2O

  • Calcium phosphorylcholine chloride(4826-71-5) <sup>1</sup>H NMR

    1H NMR 399.65 MHz
    C5 H13 Ca Cl N O4 P 0.042 g : 0.5 ml D2O
    phosphocholine chloride calcium salt
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             4.183
      B             3.608
      C             3.229
  

         Hz     ppm     Int.


       1679.08   4.202     22
   1676.15   4.195     37
   1673.34   4.188     38
   1671.63   4.183     43
   1669.19   4.177     40
   1666.50   4.170     40
   1663.70   4.163     23
   1446.78   3.621     63
   1444.21   3.614     42
   1442.02   3.609     62
   1439.94   3.604     42
   1437.26   3.597     59
   1290.77   3.230   1000

in D2O

  • Calcium phosphorylcholine chloride(4826-71-5) <sup>1</sup>H NMR

KBr disc

  • Calcium phosphorylcholine chloride(4826-71-5) <sup>1</sup>H NMR

nujol mull

  • Calcium phosphorylcholine chloride(4826-71-5) <sup>1</sup>H NMR

4880 A,200 M,liquid

  • Calcium phosphorylcholine chloride(4826-71-5) <sup>1</sup>H NMR

Calcium phosphorylcholine chloride(4826-71-5) 1H NMR Atlas of Related Products

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