3682-15-3

3-硝基鄰苯二甲酰肼(3682-15-3)核磁圖(¹³CNMR)

產(chǎn)品名稱:3-硝基鄰苯二甲酰肼

CAS:3682-15-3

分子式:C8H5N3O4

分子量: 207.14

InChI:InChI=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

Smiles:C1(=O)C2=C(C([N+]([O-])=O)=CC=C2)C(=O)NN1

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

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

    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