6830-78-0

3,6-二苯基-1,2,4,5-四嗪(6830-78-0)红外图谱(IR1)

产品名称:3,6-二苯基-1,2,4,5-四嗪

CAS:6830-78-0

分子式:C14H10N4

分子量: 234.26

InChI:InChI=1S/C14H10N4/c1-3-7-11(8-4-1)13-15-17-14(18-16-13)12-9-5-2-6-10-12/h1-10H

InChIKey: XAUWSIIGUUMHQQ-UHFFFAOYSA-N

Smiles:N1C(C2=CC=CC=C2)=NN=C(C2=CC=CC=C2)N=1

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

¹H NMR	300 MHz
C₁₄ H₁₀ N₄	0.89 M in diglyme at 121C
3,6-diphenyl-1,2,4,5-tetrazine

    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