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返回ChemicalBook首页>CAS数据库列表>67245-85-6更多图谱> 丙二酸双(4-硝基苯甲基)酯(67245-85-6)红外图谱(IR2)

67245-85-6

丙二酸双(4-硝基苯甲基)酯(67245-85-6)红外图谱(IR2)

分子式:C17H14N2O8

分子量: 374.3

InChI:InChI=1S/C17H14N2O8/c20-16(26-10-12-1-5-14(6-2-12)18(22)23)9-17(21)27-11-13-3-7-15(8-4-13)19(24)25/h1-8H,9-11H2

InChIKey: RBVOYZBIDZCDBO-UHFFFAOYSA-N

Smiles:C(OCC1=CC=C([N+]([O-])=O)C=C1)(=O)CC(OCC1=CC=C([N+]([O-])=O)C=C1)=O

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    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

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    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

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KBr disc

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nujol mull

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