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Back ChemicalBook Home>CAS DataBase List>97-02-9More Spectrum> 2,4-Dinitroaniline(97-02-9) MS

97-02-9

2,4-Dinitroaniline(97-02-9) MS

Product Name2,4-Dinitroaniline

CAS97-02-9

Molecular FormulaC6H5N3O4

Molecular Weight183.12

InChIInChI=1S/C6H5N3O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H,7H2

InChIKey LXQOQPGNCGEELI-UHFFFAOYSA-N

SmilesC1(N)=CC=C([N+]([O-])=O)C=C1[N+]([O-])=O

  • 2,4-Dinitroaniline(97-02-9) MS
    Mass

    MS-NW-0791          
    2,4-dinitroaniline
    C6H5N3O4            (Mass of molecular ion:    183)
    

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

          18.0       2.2
          28.0       9.6
          30.0       4.5
          32.0       1.7
          37.0       1.7
          38.0       3.5
          39.0       5.9
          40.0       2.6
          41.0       6.9
          44.0       1.7
          50.0       2.3
          51.0       4.4
          52.0      25.0
          53.0       3.8
          54.0       1.2
          61.0       2.4
          62.0       6.7
          63.0      14.6
          64.0      16.4
          65.0       5.7
          66.0       3.8
          67.0       1.6
          74.0       1.0
          75.0       1.2
          76.0       1.9
          77.0       1.5
          78.0       3.7
          79.0       9.0
          80.0       1.8
          89.0       2.9
          90.0       6.5
          91.0      42.2
          92.0       6.3
          93.0       2.5
          95.0       1.6
         106.0       1.5
         107.0      12.8
         108.0       1.0
         137.0       8.0
         153.0      17.5
         154.0       1.3
         167.0       2.5
         183.0     100.0
         184.0       7.7
         185.0       1.1
    

90 MHz in DMSO-d6

  • 2,4-Dinitroaniline(97-02-9) MS

    1H NMR 89.56 MHz
    C6 H5 N3 O4 0.041 g : 0.5 ml DMSO-d6
    2,4-dinitroaniline
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.773 B 8.36 C 8.143 D 7.117

         Hz     ppm     Int.
    

        798.75   8.919     25
        797.06   8.900     31
        795.38   8.881     29
        794.81   8.875     30
        787.19   8.790    912
        784.56   8.761   1000
        748.44   8.357    768
        735.63   8.214    510
        733.00   8.185    455
        726.19   8.109    558
        723.56   8.080    524
        646.81   7.223     30
        641.69   7.165    986
        632.31   7.061    809
    

DMSO-d6

  • 2,4-Dinitroaniline(97-02-9) MS

KBr disc

  • 2,4-Dinitroaniline(97-02-9) MS

nujol mull

  • 2,4-Dinitroaniline(97-02-9) MS

  • 2,4-Dinitroaniline(97-02-9) MS

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