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Back ChemicalBook Home>CAS DataBase List>77359-11-6More Spectrum> 4-Nitrobenzyl hydrogen malonate(77359-11-6) 1H NMR

77359-11-6

4-Nitrobenzyl hydrogen malonate(77359-11-6) 1H NMR

Molecular FormulaC10H9NO6

Molecular Weight239.18

InChIInChI=1S/C10H9NO6/c12-9(13)5-10(14)17-6-7-1-3-8(4-2-7)11(15)16/h1-4H,5-6H2,(H,12,13)

InChIKey RIGFMUNSTCPGNP-UHFFFAOYSA-N

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

  • 4-Nitrobenzyl hydrogen malonate(77359-11-6) <sup>1</sup>H NMR
    Mass

    MS-IW-7575          
    4-nitrobenzyl hydrogen malonate
    C10H9NO6            (Mass of molecular ion:    239)
    

       Source Temperature: 160 °C
       Sample Temperature: 170 °C
       Direct, 75 eV
    

          14.0       3.0
          15.0       1.1
          18.0       4.6
          27.0       1.4
          28.0       5.9
          29.0       1.6
          30.0       5.5
          31.0       1.2
          38.0       1.0
          39.0       3.8
          40.0       1.0
          41.0       4.2
          42.0      25.1
          43.0      41.3
          44.0      53.1
          45.0       1.6
          50.0       4.7
          51.0       9.1
          52.0       2.7
          53.0       1.7
          60.0       4.3
          62.0       1.5
          63.0       5.8
          64.0       1.9
          65.0       1.5
          66.0       1.0
          74.0       1.7
          75.0       2.1
          76.0       3.4
          77.0      20.7
          78.0      13.4
          79.0       5.1
          87.0       4.7
          89.0      33.6
          90.0       6.3
          91.0       1.4
          92.0       1.2
          94.0       2.8
         104.0       1.2
         105.0       5.5
         106.0      18.1
         107.0      10.2
         108.0       6.0
         120.0       1.5
         121.0       2.2
         122.0       2.7
         123.0       1.0
         124.0       3.3
         125.0       1.2
         135.0       4.2
         136.0      21.8
         137.0       3.5
         150.0       2.8
         151.0       2.5
         152.0      19.7
         153.0     100.0
         154.0       8.4
         193.0       2.3
         195.0      19.1
         196.0       2.2
    

400 MHz in DMSO-d6

  • 4-Nitrobenzyl hydrogen malonate(77359-11-6) <sup>1</sup>H NMR

    1H NMR 399.65 MHz
    C10 H9 N O6 0.042 g : 0.5 ml DMSO-d6
    4-nitrobenzyl hydrogen malonate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.9 B 8.242 C 7.668 D 5.316 E 3.539

         Hz     ppm     Int.
    

       5162.61  12.918     93
       3301.21   8.261     61
       3298.85   8.255    366
       3296.93   8.250    149
       3292.02   8.238    138
       3290.09   8.233    407
       3287.53   8.227     65
       3069.79   7.682     60
       3067.43   7.676    325
       3066.79   7.674    304
       3065.30   7.670    147
       3058.46   7.653    332
       2124.87   5.317    650
       1414.59   3.540   1000
       1410.74   3.530     43
    

in DMSO-d6

  • 4-Nitrobenzyl hydrogen malonate(77359-11-6) <sup>1</sup>H NMR

KBr disc

  • 4-Nitrobenzyl hydrogen malonate(77359-11-6) <sup>1</sup>H NMR

nujol mull

  • 4-Nitrobenzyl hydrogen malonate(77359-11-6) <sup>1</sup>H NMR

4-Nitrobenzyl hydrogen malonate(77359-11-6) 1H NMR Atlas of Related Products

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