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返回ChemicalBook首页>CAS数据库列表>1698-53-9更多图谱> 1-苯基-4,5-二氯-6-哒酮(1698-53-9)红外图谱(IR1)

1698-53-9

1-苯基-4,5-二氯-6-哒酮(1698-53-9)红外图谱(IR1)

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

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    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

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    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
    ChemicalStructure
        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
    

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    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
    ChemicalStructure
        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

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nujol mull

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