2294-47-5

1,4-Diazido Benzene(2294-47-5)ESR图谱

产品名称:1,4-Diazido Benzene

CAS:2294-47-5

分子式:C6H4N6

分子量: 160.13616

InChI:InChI=1S/C6H4N6/c7-11-9-5-1-2-6(4-3-5)10-12-8/h1-4H

InChIKey: QNSQTJHTVQSWFR-UHFFFAOYSA-N

Smiles:C1(N=[N+]=[N-])=CC=C(N=[N+]=[N-])C=C1

¹HNMR

¹³CNMR

ESR

Mass

MS2004-02549WA      
1,4-diazidobenzene
C6H4N6              (Mass of molecular ion:    160)

   Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Reservoir, 70 eV

      14.0       1.6
      25.0       1.9
      26.0      50.1
      27.0       3.7
      28.0      66.0
      37.0      11.7
      38.0      10.2
      38.5       1.2
      39.0       5.3
      40.0       1.6
      49.0       2.6
      50.0      12.1
      51.0      39.8
      52.0      68.0
      53.0     100.0
      54.0       4.3
      61.0       3.6
      62.0       5.0
      63.0       6.1
      64.0      15.2
      65.0       1.2
      74.0       1.5
      75.0       2.4
      76.0       8.9
      77.0      42.4
      78.0      52.0
      79.0       6.7
      80.0       1.5
     103.0      26.0
     104.0      42.6
     105.0       3.8
     106.0       1.9
     108.0       3.4
     132.0      14.5
     133.0       1.1
     160.0      42.6
     161.0       3.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆H₄N₆	12 mg : 0.5 ml CDCl₃
1,4-diazidobenzene

    Assign.     Shift(ppm)

     A           7.010

     Hz     ppm     Int.

   2802.50   7.011   1000

in CDCl3

Spectral Code: ESR : PHOTOLYSIS, IN AERATED 3-METHYLPENTANE, 77K