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Back ChemicalBook Home>CAS DataBase List>75321-09-4More Spectrum> MALONIC ACID MONO-4-NITROBENZYL ESTER MAGNESIUM SALT(75321-09-4) IR1

75321-09-4

MALONIC ACID MONO-4-NITROBENZYL ESTER MAGNESIUM SALT(75321-09-4) IR1

Molecular FormulaC20H16MgN2O12

Molecular Weight500.65

InChIInChI=1S/2C10H9NO6.Mg/c2*12-9(13)5-10(14)17-6-7-1-3-8(4-2-7)11(15)16;/h2*1-4H,5-6H2,(H,12,13);/q;;+2/p-2

InChIKey WAFDWKYNSTVECG-UHFFFAOYSA-L

SmilesC1(COC(=O)CC(=O)[O-])=CC=C([N+]([O-])=O)C=C1.C1(COC(=O)CC([O-])=O)C=CC([N+]([O-])=O)=CC=1.[Mg+2]

400 MHz in DMSO-d6

  • MALONIC ACID MONO-4-NITROBENZYL ESTER MAGNESIUM SALT(75321-09-4) IR1

    1H NMR 399.65 MHz
    C20 H16 Mg N2 O12 0.030 g : 0.5 ml DMSO-d6
    malonic acid mono-p-nitrobenzyl ester magnesium salt
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             8.197
      B             7.668
      C             5.231
      D             3.249
  

         Hz     ppm     Int.


       3280.64   8.209    541
   3271.94   8.188    600
   3068.85   7.679    495
   3060.46   7.658    502
   2090.91   5.232   1000
   1317.90   3.298     22
   1298.68   3.250    465

in DMSO-d6

  • MALONIC ACID MONO-4-NITROBENZYL ESTER MAGNESIUM SALT(75321-09-4) IR1

KBr disc

  • MALONIC ACID MONO-4-NITROBENZYL ESTER MAGNESIUM SALT(75321-09-4) IR1

nujol mull

  • MALONIC ACID MONO-4-NITROBENZYL ESTER MAGNESIUM SALT(75321-09-4) IR1

MALONIC ACID MONO-4-NITROBENZYL ESTER MAGNESIUM SALT(75321-09-4) IR1 Atlas of Related Products

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