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Back ChemicalBook Home>CAS DataBase List>610-28-6More Spectrum> 2,5-DINITROBENZOIC ACID(610-28-6) ESR

610-28-6

2,5-DINITROBENZOIC ACID(610-28-6) ESR

Molecular FormulaC7H4N2O6

Molecular Weight212.12

InChIInChI=1S/C7H4N2O6/c10-7(11)5-3-4(8(12)13)1-2-6(5)9(14)15/h1-3H,(H,10,11)

InChIKey YKMDNKRCCODWMG-UHFFFAOYSA-N

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

  • 2,5-DINITROBENZOIC ACID(610-28-6) ESR
    Mass

    MS-NW-0486          
    2,5-dinitrobenzoic acid
    C7H4N2O6            (Mass of molecular ion:    212)
    

       Source Temperature: 230 °C
       Sample Temperature: 170 °C
       Direct, 75 eV
    

          18.0       3.4
          26.0       1.0
          27.0       1.6
          28.0       3.5
          29.0       1.4
          30.0     100.0
          36.0       1.5
          37.0       3.2
          38.0       5.1
          39.0       3.9
          44.0       9.3
          45.0       4.1
          46.0       2.5
          49.0       1.2
          50.0      18.2
          51.0       4.1
          52.0       4.6
          53.0      12.3
          54.0       1.2
          55.0       1.6
          57.0       1.5
          61.0       2.8
          62.0       7.2
          63.0      18.3
          64.0      14.8
          65.0       1.9
          66.0       2.0
          68.0       1.0
          73.0       3.6
          74.0      20.9
          75.0      39.5
          76.0      14.4
          77.0       3.4
          79.0       2.2
          80.0       2.2
          90.0       2.8
          91.0       7.8
          92.0      31.7
          93.0       3.0
         103.0       1.8
         104.0       1.3
         106.0       1.0
         108.0       2.7
         119.0       1.4
         120.0      21.6
         121.0       2.3
         122.0      10.7
         148.0       6.0
         149.0       1.1
         164.0       1.8
         166.0       1.1
         168.0      34.9
         169.0       2.9
         182.0       2.6
         195.0       1.3
         196.0       1.2
         212.0      21.6
         213.0       2.1
    

90 MHz in DMSO-d6

  • 2,5-DINITROBENZOIC ACID(610-28-6) ESR

    1H NMR 89.56 MHz
    C7 H4 N2 O6 0.040 g : 0.5 ml CDCl3
    2,5-dinitrobenzoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 13. B 8.59 C 8.59 D 8.249 B AND C WERE CONFIRMED BY LAOCN PROGRAM. J(B,C)=2.5HZ, J(C,D)=9.5HZ

         Hz     ppm     Int.
    

        775.49   8.659    188
        772.95   8.631    575
        770.31   8.602    807
        767.97   8.575   1000
        766.02   8.554    992
        763.48   8.525    338
        742.38   8.290    922
        738.09   8.242    151
        737.40   8.234    148
        733.01   8.185    511
    

KBr disc

  • 2,5-DINITROBENZOIC ACID(610-28-6) ESR

nujol mull

  • 2,5-DINITROBENZOIC ACID(610-28-6) ESR

ANION RADICAL, ELECTROREDUCTION IN DMF

  • 2,5-DINITROBENZOIC ACID(610-28-6) ESR

2,5-DINITROBENZOIC ACID(610-28-6) ESR Atlas of Related Products

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