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6830-78-0

3,6-DIPHENYL-1,2,4,5-TETRAZINE

Product Name 3,6-DIPHENYL-1,2,4,5-TETRAZINE

CAS6830-78-0

MFC14H10N4

MW234.26

More

  • 6830-78-0_ms
    Mass

    MS2005-02682WA      
    3,6-diphenyl-1,2,4,5-tetrazine
    C14H10N4            (Mass of molecular ion:    234)
    

       Source Temperature: 245 °C
       Sample Temperature:  20 °C
       Direct, 70 eV
    

          39.0       2.5
          50.0       4.4
          51.0       3.0
          52.0       2.3
          63.0       1.6
          75.0       2.2
          76.0      14.8
          77.0       4.1
         103.0     100.0
         104.0       8.2
         135.0       1.3
         234.0       6.5
         235.0       1.1
         238.0       1.7
    

parameter in O(CH2CH2OCH3)2 at 121 C

in CDCl3

  • 6830-78-0_1hnmr

    1H NMR 300 MHz
    C14 H10 N4 0.89 M in diglyme at 121C
    3,6-diphenyl-1,2,4,5-tetrazine
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 8.562 D(B) 7.550 D(C) 7.567 J(A,A') 1.94 J(A,B) 7.91 J(A,B') 0.62 J(A,C) 1.19 J(A',B) 0.62 J(A',B') 7.91 J(A',C) 1.19 J(B,B') 1.40 J(B,C) 7.53 J(B',C) 7.53 GUENTHER,H. & CASTELLANO,S. BER.BUNSENGES.PHYSIK.CHEM. 70, 913 (1966)

         Hz     ppm     Int.
    

       2579.59   8.599     16
       2578.63   8.595     21
       2576.96   8.590     46
       2573.53   8.578    445
       2571.53   8.572    478
       2569.97   8.567    143
       2568.38   8.561    389
       2566.83   8.556    348
       2565.97   8.553    265
       2564.60   8.549    278
       2563.78   8.546    477
       2561.59   8.539     86
       2558.44   8.528     26
       2557.14   8.524     10
       2280.38   7.601     15
       2278.45   7.595     24
       2274.28   7.581     89
       2273.18   7.577    111
       2272.57   7.575    137
       2269.91   7.566   1000
       2268.02   7.560    870
       2264.79   7.549    532
       2263.69   7.546    327
       2262.88   7.543    493
       2260.02   7.533     94
       2258.47   7.528    140
       2255.27   7.518     34
       2254.16   7.514     37
       2253.40   7.511     44
    

  • 6830-78-0_1hnmr_2

in CDCl3

  • 6830-78-0_13cnmr

KBr disk

  • 6830-78-0_ir1_2

Nujol

  • 6830-78-0_ir2_1

  • 6830-78-0_raman