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67245-85-6

MALONIC ACID BIS(4-NITROBENZYL) ESTER

Product Name MALONIC ACID BIS(4-NITROBENZYL) ESTER

CAS67245-85-6

MFC17H14N2O8

MW374.3

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  • 67245-85-6_ms_1
    Mass

    MS-IW-7564          
    bis(4-nitrobenzyl) malonate
    C17H14N2O8          (Mass of molecular ion:    374)
    

       Source Temperature: 180 °C
       Sample Temperature: 210 °C
       Direct, 75 eV
    

          17.0       1.4
          18.0       6.0
          27.0       2.4
          28.0       8.6
          29.0       1.7
          30.0      12.0
          31.0       1.8
          38.0       1.4
          39.0       5.3
          40.0       1.9
          41.0       2.4
          42.0       4.4
          43.0       3.2
          44.0       8.3
          50.0       6.3
          51.0      12.7
          52.0       3.8
          53.0       2.3
          55.0       1.0
          62.0       1.8
          63.0       8.1
          64.0       2.7
          65.0       2.1
          66.0       1.4
          68.0       2.9
          69.0      14.5
          70.0       2.7
          74.0       2.3
          75.0       2.8
          76.0       4.5
          77.0      28.8
          78.0      24.9
          79.0       7.5
          87.0      30.3
          88.0       1.4
          89.0      34.1
          90.0      17.5
          91.0       3.5
          92.0       1.6
          94.0       3.2
          95.0       1.1
         104.0       1.7
         105.0       7.6
         106.0      30.7
         107.0      17.2
         108.0       7.5
         120.0       5.0
         121.0       3.0
         122.0       2.8
         123.0       1.1
         124.0       3.8
         125.0       1.2
         135.0       2.2
         136.0      41.5
         137.0     100.0
         138.0       8.3
         150.0       3.2
         151.0       2.8
         152.0      24.2
         153.0      86.4
         154.0       7.4
         176.0       1.0
         221.0       2.4
    

400 MHz in CDCl3

  • 67245-85-6_1hnmr_0

    1H NMR 399.65 MHz
    C17 H14 N2 O8 0.040 g : 0.5 ml CDCl3
    bis(4-nitrobenzyl) malonate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.199 B 7.519 C 5.297 D 3.595

         Hz     ppm     Int.
    

       3283.81   8.217     78
       3281.49   8.211    524
       3279.54   8.207    192
       3274.66   8.194    193
       3272.71   8.189    584
       3270.39   8.184     91
       3011.72   7.536     77
       3009.40   7.531    473
       3008.79   7.529    394
       3007.32   7.525    176
       3002.56   7.513    163
       3000.49   7.508    469
       2998.17   7.502     77
       2117.19   5.298   1000
       1440.43   3.605     26
       1437.01   3.596    910
       1432.98   3.586     24
    

in CDCl3

  • 67245-85-6_13cnmr_0

KBr disc

  • 67245-85-6_ir1_2

nujol mull

  • 67245-85-6_ir2_1