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75321-09-4

马来酸单-4-硝基苄酯(75321-09-4)红外图谱(IR2)

分子式:C20H16MgN2O12

分子量: 500.65

InChI:InChI=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

Smiles:C1(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

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    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

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KBr disc

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nujol mull

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