4-氨基鄰苯二甲酰肼(3682-14-2)核磁圖(¹³CNMR)

產(chǎn)品名稱:4-氨基鄰苯二甲酰肼

CAS:3682-14-2

分子式:C8H7N3O2

分子量: 177.16

InChI:InChI=1S/C8H7N3O2/c9-4-1-2-5-6(3-4)8(13)11-10-7(5)12/h1-3H,9H2,(H,10,12)(H,11,13)

InChIKey: HUDPLKWXRLNSPC-UHFFFAOYSA-N

Smiles:C1(=O)C2=C(C=CC(N)=C2)C(O)=NN1

Mass

MS-NW-2141          
4-aminophthalohydrazide
C8H7N3O2 (H2O)      (Mass of molecular ion:    177)

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

      17.0       2.5
      18.0      11.5
      27.0       1.5
      28.0       4.3
      29.0       1.6
      37.0       1.6
      38.0       1.9
      39.0       5.0
      40.0       1.0
      41.0       7.5
      42.0       1.0
      45.5       1.6
      50.0       1.3
      51.0       1.9
      52.0       3.6
      53.0       1.4
      60.0       1.0
      61.0       1.2
      62.0       2.3
      63.0       6.5
      64.0       6.3
      65.0      13.0
      66.0       2.5
      67.0       1.0
      77.0       1.1
      78.0       1.2
      79.0       1.5
      89.0       1.0
      90.0       2.7
      91.0      24.0
      92.0       8.2
      93.0       1.2
     105.0       1.6
     106.0       1.4
     116.0       1.3
     119.0      72.8
     120.0      13.8
     121.0       1.8
     133.0       1.4
     143.0       3.5
     148.0       3.9
     176.0       1.2
     177.0     100.0
     178.0      10.4

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₈ H₇ N₃ O₂	0.038 g : 0.5 ml DMSO-d₆
4-aminophthalohydrazide

    Assign.     Shift(ppm)

      A            11.
      B             7.814
      C             7.103
      D             7.057
      E             6.23

     Hz     ppm     Int.

   3127.57   7.826    703
   3118.96   7.805    762
   2840.00   7.107    702
   2837.80   7.101    852
   2825.89   7.071    540
   2823.69   7.066    404
   2817.28   7.050    482
   2815.09   7.044    428
   2490.15   6.231   1000
   2474.21   6.191     31
   2473.48   6.190     29
   2473.11   6.189     27

in DMSO-d6