14161-11-6

3,4,5-三氯哒嗪(14161-11-6)质谱(MS)

产品名称:3,4,5-三氯哒嗪

CAS:14161-11-6

分子式:C4HCl3N2

分子量: 183.42

InChI:InChI=1S/C4HCl3N2/c5-2-1-8-9-4(7)3(2)6/h1H

InChIKey: GBAOOJAWDCNOGO-UHFFFAOYSA-N

Smiles:C1(Cl)=NN=CC(Cl)=C1Cl

Mass

MS-NW-6730          
3,4,5-trichloropyridazine
C4HCl3N2            (Mass of molecular ion:    182)

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

      17.0       1.1
      18.0       4.4
      24.0       1.3
      27.0       1.3
      35.0       5.8
      36.0       9.1
      37.0       5.1
      38.0       3.6
      44.0       1.0
      47.0      11.9
      48.0       3.1
      49.0      15.8
      50.0       5.2
      51.0       3.8
      59.0       3.4
      59.5       3.3
      60.0       3.2
      60.5       2.5
      61.0       1.8
      62.0       2.0
      71.0       2.3
      72.0       2.6
      73.0       1.8
      74.0       1.0
      76.0       3.8
      77.0       2.7
      78.0       2.4
      83.0       2.9
      84.0      54.0
      85.0      23.4
      86.0      20.5
      87.0       7.8
      94.0      14.9
      96.0       9.3
      98.0       1.8
     107.0       1.3
     111.0       1.7
     118.0       2.7
     119.0     100.0
     120.0      10.8
     121.0      64.6
     122.0       6.3
     123.0      10.7
     124.0       1.0
     147.0      46.4
     148.0       3.1
     149.0      30.6
     150.0       1.9
     151.0       5.1
     154.0       8.3
     156.0       8.2
     158.0       2.7
     182.0      89.0
     183.0       4.8
     184.0      86.0
     185.0       4.7
     186.0      28.2
     187.0       1.7
     188.0       3.3

parameter in CDCl3

¹H NMR	300 MHz
C₄ H Cl₃ N₂	0.052 g : 0.5 ml CDCl₃
3,4,5-trichloropyridazine

    Parameter     ppm  Hz

      D(A)         9.126

     Hz     ppm     Int.

   2737.80   9.126   1000

in CDCl3

KBr disc

nujol mull

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