289-80-5

哒嗪(289-80-5)Raman光谱

产品名称:哒嗪

CAS:289-80-5

分子式:C4H4N2

分子量: 80.09

InChI:InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H

InChIKey: PBMFSQRYOILNGV-UHFFFAOYSA-N

Smiles:C1=NN=CC=C1

Mass

MS-NW-5023          
pyridazine
C4H4N2              (Mass of molecular ion:     80)

   Source Temperature: 250 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      18.0       1.0
      25.0       4.1
      25.5       2.2
      26.0      23.4
      27.0       4.9
      28.0       5.1
      37.0       3.2
      38.0       2.2
      39.0       1.5
      49.0       2.3
      50.0      16.1
      51.0      41.1
      52.0      36.4
      53.0       3.5
      80.0     100.0
      81.0       5.7

90 MHz in CDCl3

parameter in CD2Cl2

¹H NMR	89.56 MHz
C₄ H₄ N₂	0.02 ml : 0.5 ml CDCl₃
pyridazine

    Assign.     Shift(ppm)

      A             7.509
      B             9.213

     Hz     ppm     Int.

    828.75   9.254    375
    825.56   9.218    494
    825.13   9.214    474
    821.81   9.177    422
    676.00   7.549   1000
    672.81   7.513    815
    672.19   7.506    875
    670.25   7.484     45
    669.00   7.470    926

¹H NMR	300 MHz
C₄ H₄ N₂	25 vol% in CD₂Cl₂
pyridazine

    Parameter     ppm  Hz

      D(A)         9.19
      D(B)         7.54
       J(A,A')         1.39
       J(A,B)          5.05
       J(A,B')         1.88
       J(A',B)         1.88
       J(A',B')        5.05
       J(B,B')         8.22
     
     JACOBSEN,J.P. ET AL. J.MAGN.RESON. 10, 130 (1973)

     Hz     ppm     Int.

   2766.89   9.223     15
   2764.16   9.214     31
   2760.48   9.202    796
   2757.26   9.191    993
   2756.78   9.189    985
   2753.56   9.179    820
   2749.86   9.166     32
   2747.18   9.157     16
   2271.84   7.573     16
   2269.17   7.564     32
   2265.46   7.552    820
   2262.23   7.541    990
   2261.75   7.539   1000
   2258.53   7.528    798
   2254.85   7.516     31
   2252.13   7.507     15

in CDCl3