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Back ChemicalBook Home>CAS DataBase List>2620-44-2More Spectrum> 1,2-(Methylenedioxy)-4-nitrobenzene(2620-44-2) 13C NMR

2620-44-2

1,2-(Methylenedioxy)-4-nitrobenzene(2620-44-2) 13C NMR

Molecular FormulaC7H5NO4

Molecular Weight167.12

InChIInChI=1S/C7H5NO4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2

InChIKey SNWQAKNKGGOVMO-UHFFFAOYSA-N

SmilesO1C2=CC=C([N+]([O-])=O)C=C2OC1

  • 1,2-(Methylenedioxy)-4-nitrobenzene(2620-44-2) <sup>13</sup>C NMR
    Mass

    MS-NW-7900          
    5-nitro-1,3-benzodioxole
    C7H5NO4             (Mass of molecular ion:    167)
    

       Source Temperature: 140 °C
       Sample Temperature: 110 °C
       Direct, 75 eV
    

          18.0       2.6
          28.0       3.1
          29.0       1.9
          30.0       2.3
          37.0       3.1
          38.0       2.7
          39.0      10.3
          49.0       1.2
          50.0       4.5
          51.0       6.9
          52.0       1.0
          53.0       9.3
          61.0       4.7
          62.0      13.2
          63.0      27.7
          64.0       2.9
          65.0      31.5
          66.0       1.9
          77.0       1.0
          79.0       7.4
          91.0      12.9
          92.0       1.8
         107.0      12.1
         108.0       1.3
         109.0       1.2
         119.0       1.1
         120.0       7.8
         121.0      28.9
         122.0       2.2
         137.0      13.6
         138.0       1.2
         151.0       1.7
         166.0       6.3
         167.0     100.0
         168.0       8.4
         169.0       1.2
    

400 MHz in CDCl3

  • 1,2-(Methylenedioxy)-4-nitrobenzene(2620-44-2) <sup>13</sup>C NMR

    1H NMR 399.65 MHz
    C7 H5 N O4 0.037 g : 0.5 ml CDCl3
    5-nitro-1,3-benzodioxole
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.890 B 7.658 C 6.871 D 6.150

         Hz     ppm     Int.
    

       3158.69   7.904    107
       3156.49   7.899    108
       3150.15   7.883    112
       3147.83   7.877    113
       3061.65   7.661    197
       3059.33   7.656    181
       2750.61   6.883    229
       2741.94   6.861    218
       2458.01   6.151   1000
    

in CDCl3

  • 1,2-(Methylenedioxy)-4-nitrobenzene(2620-44-2) <sup>13</sup>C NMR

KBr disc

  • 1,2-(Methylenedioxy)-4-nitrobenzene(2620-44-2) <sup>13</sup>C NMR

nujol mull

  • 1,2-(Methylenedioxy)-4-nitrobenzene(2620-44-2) <sup>13</sup>C NMR

4880 A,200 M,powder

  • 1,2-(Methylenedioxy)-4-nitrobenzene(2620-44-2) <sup>13</sup>C NMR

1,2-(Methylenedioxy)-4-nitrobenzene(2620-44-2) 13C NMR Atlas of Related Products

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