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Back ChemicalBook Home>CAS DataBase List>3682-15-3More Spectrum> 3-Nitrophthalhydrazide(3682-15-3) IR1

3682-15-3

3-Nitrophthalhydrazide(3682-15-3) IR1

Molecular FormulaC8H5N3O4

Molecular Weight207.14

InChIInChI=1S/C8H5N3O4/c12-7-4-2-1-3-5(11(14)15)6(4)8(13)10-9-7/h1-3H,(H,9,12)(H,10,13)

InChIKey YVOBBFQJMOGQOU-UHFFFAOYSA-N

SmilesC1(=O)C2=C(C([N+]([O-])=O)=CC=C2)C(=O)NN1

  • 3-Nitrophthalhydrazide(3682-15-3) IR1
    Mass

    MS-NW-9330          
    5-nitro-2,3-dihydro-1,4-phthalazinedione
    C8H5N3O4            (Mass of molecular ion:    207)
    

       Source Temperature: 200 °C
       Sample Temperature: 190 °C
       Direct, 75 eV
    

          18.0       5.1
          28.0       5.3
          29.0       1.0
          30.0       3.3
          37.0       1.4
          38.0       1.7
          39.0       2.7
          44.0       1.8
          50.0       8.5
          51.0       6.7
          52.0       2.2
          53.0       1.9
          62.0       2.4
          63.0       5.9
          64.0       5.8
          65.0       2.4
          73.0       1.1
          74.0       7.7
          75.0      32.1
          76.0      26.0
          77.0       6.3
          78.0       4.5
          89.0       3.4
          90.0       2.8
          91.0       3.9
          92.0      10.3
          93.0       1.4
         103.0       9.0
         104.0      33.4
         105.0       4.9
         106.0       1.9
         117.0       1.9
         119.0       5.7
         120.0       2.2
         132.0       1.4
         133.0       1.4
         134.0       1.0
         147.0       1.5
         148.0      85.0
         149.0       7.9
         161.0       4.3
         162.0       3.1
         163.0       2.0
         177.0      11.9
         178.0      54.0
         179.0       5.2
         207.0     100.0
         208.0      13.5
         209.0       1.7
    

400 MHz in DMSO-d6

  • 3-Nitrophthalhydrazide(3682-15-3) IR1

    1H NMR 399.65 MHz
    C8 H5 N3 O4 0.039 g : 0.5 ml DMSO-d6
    5-nitro-2,3-dihydro-1,4-phthalazinedione
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10. B 8.296 C 8.223 D 8.118

         Hz     ppm     Int.
    

       4813.23  12.044    125
       3320.01   8.308    418
       3312.32   8.289    494
       3303.34   8.266     31
       3302.27   8.263     30
       3301.85   8.262     30
       3300.35   8.259     31
       3299.07   8.255     34
       3291.59   8.237    549
       3290.31   8.233    577
       3283.68   8.217    812
       3282.61   8.214    729
       3275.99   8.198     23
       3259.11   8.155     25
       3251.42   8.136    710
       3243.51   8.116   1000
       3239.45   8.106     69
       3235.60   8.097    425
    

in DMSO-d6

  • 3-Nitrophthalhydrazide(3682-15-3) IR1

KBr disc

  • 3-Nitrophthalhydrazide(3682-15-3) IR1

nujol mull

  • 3-Nitrophthalhydrazide(3682-15-3) IR1

  • 3-Nitrophthalhydrazide(3682-15-3) IR1

3-Nitrophthalhydrazide(3682-15-3) IR1 Atlas of Related Products

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