1698-53-9

1-苯基-4，5-二氯-6-哒酮(1698-53-9)红外图谱(IR1)

产品名称:1-苯基-4，5-二氯-6-哒酮

CAS:1698-53-9

分子式:C10H6Cl2N2O

分子量: 241.07

InChI:InChI=1S/C10H6Cl2N2O/c11-8-6-13-14(10(15)9(8)12)7-4-2-1-3-5-7/h1-6H

InChIKey: VKWCOHVAHQOJGU-UHFFFAOYSA-N

Smiles:C1(=O)N(C2=CC=CC=C2)N=CC(Cl)=C1Cl

Mass

MS-NW-6723          
4,5-dichloro-1-phenyl-6-pyridazone
C10H6Cl2N2O         (Mass of molecular ion:    240)

   Source Temperature: 150 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       2.1
      27.0       2.1
      28.0       1.0
      37.0       3.8
      38.0       3.3
      39.0       4.6
      50.0       4.9
      51.0      20.9
      52.0       2.1
      62.0       1.2
      63.0       4.6
      64.0       6.3
      65.0       3.0
      72.0       4.8
      74.0       2.2
      75.0       1.2
      76.0       1.2
      77.0     100.0
      78.0       6.8
      86.0       1.1
      87.0       2.7
      91.0       7.0
      94.0       1.4
     105.0      11.6
     107.0       9.8
     109.0       6.7
     111.0       1.2
     114.0       1.8
     142.0       3.1
     149.0       3.5
     150.0       3.4
     151.0       1.8
     152.0       1.1
     177.0       2.2
     205.0       2.1
     212.0       2.3
     214.0       1.5
     239.0      20.7
     240.0      36.2
     241.0      17.2
     242.0      23.1
     243.0       4.9
     244.0       3.9

400 MHz in DMSO-d6

90 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₀ H₆ Cl₂ N₂ O	0.036 g : 0.5 ml DMSO-d₆
4,5-dichloro-1-phenyl-6-pyridazone

    Assign.     Shift(ppm)

      A             8.286
      B             7.55
      C             7.53
      D             7.464

     Hz     ppm     Int.

   3311.52   8.287   1000
   3024.66   7.569    147
   3022.71   7.564    220
   3022.09   7.562    113
   3020.26   7.558    100
   3017.94   7.552    124
   3017.09   7.550    213
   3016.72   7.549    214
   3015.75   7.546    553
   3014.28   7.543    507
   3013.79   7.542    552
   3012.70   7.539    500
   3010.38   7.533    102
   3007.93   7.527    133
   3006.71   7.524    323
   3005.74   7.521    459
   3003.91   7.517    145
   2999.76   7.506    112
   2997.92   7.502    149
   2997.44   7.501    158
   2995.85   7.497     36
   2989.87   7.482    135
   2988.16   7.477    203
   2986.08   7.472    123
   2984.13   7.467     95
   2982.18   7.462    135
   2981.20   7.460    140
   2980.71   7.459    133
   2978.27   7.453     55
   2976.20   7.448     47
   2974.73   7.444     55
   2974.37   7.443     53
   2972.78   7.439     40

¹H NMR	89.56 MHz
C₁₀ H₆ Cl₂ N₂ O	0.045 g : 0.5 ml DMSO-d₆
4,5-dichloro-1-phenyl-6-pyridazone

    Assign.     Shift(ppm)

      A             8.32
      B          7.70 to 7.36

     Hz     ppm     Int.

    745.44   8.324    751
    680.69   7.601     64
    677.13   7.561    113
    676.06   7.549    246
    673.88   7.525   1000
    671.31   7.496    213
    668.81   7.468     62
    666.81   7.446     31
    666.44   7.442     31
    665.94   7.436     34
    665.19   7.428     35

KBr disc