135-20-6

铜铁试剂(135-20-6)核磁图(¹³CNMR)

产品名称:铜铁试剂

CAS:135-20-6

分子式:C6H9N3O2

分子量: 155.15

InChI:InChI=1S/C6H5N2O2.H3N/c9-7-8(10)6-4-2-1-3-5-6;/h1-5H;1H3/q-1;/p+1

InChIKey: GDEBSAWXIHEMNF-UHFFFAOYSA-O

Smiles:C1(=CC=CC=C1)N([O-])N=O.[NH4+]

Mass

MS2011-04453CW      
cupferron
C6H9N3O2            (Mass of molecular ion:    155)

   Source Temperature: 245 °C
   Sample Temperature:  25 °C
   Direct, 70 eV

      16.0       4.5
      17.0       6.0
      27.0       2.2
      30.0      12.0
      37.0       2.3
      38.0       4.3
      39.0       6.4
      49.0       1.2
      50.0      11.3
      51.0      29.5
      52.0       5.1
      53.0       4.2
      61.0       1.2
      62.0       1.9
      63.0       5.5
      64.0       7.8
      65.0       8.2
      66.0       1.1
      74.0       4.2
      75.0       2.4
      76.0       2.7
      77.0      56.2
      78.0     100.0
      79.0       6.6
      91.0       7.0
      92.0       9.1
      93.0       2.7
     107.0      12.7
     108.0      86.9
     109.0      13.1

in DMSO-d6

90 MHz in D2O

¹H NMR	89.56 MHz
C₆ H₉ N₃ O₂	0.038 g : 0.5 ml D₂O
cupferron

    Assign.     Shift(ppm)

      A             7.78
      B             7.52
     
     SOLVENT PEAK REMOVED

     Hz     ppm     Int.

    702.56   7.845    358
    701.44   7.833    243
    700.31   7.820    233
    698.88   7.804    504
    697.38   7.787    428
    695.06   7.761    596
    694.00   7.749    422
    692.44   7.732    731
    679.63   7.589    330
    678.38   7.575    278
    677.00   7.560    746
    676.56   7.555    865
    675.75   7.546    891
    674.31   7.530    488
    673.19   7.517    629
    672.50   7.509    787
    671.44   7.498    449
    670.44   7.486    320
    669.69   7.478   1000
    668.94   7.470    336

in DMSO-d6

in D2O