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返回ChemicalBook首页>CAS数据库列表>784-38-3更多图谱> 2-氨基-5-氯-2'-氟二苯甲酮(784-38-3)核磁图(1HNMR)

784-38-3

2-氨基-5-氯-2'-氟二苯甲酮(784-38-3)核磁图(1HNMR)

分子式:C13H9ClFNO

分子量: 249.67

InChI:InChI=1S/C13H9ClFNO/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15/h1-7H,16H2

InChIKey: GTGMXPIQRQSORU-UHFFFAOYSA-N

Smiles:C(C1=CC(Cl)=CC=C1N)(C1=CC=CC=C1F)=O

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    Mass

    MS-KW-0091          
    2-amino-5-chloro-2'-fluorobenzophenone
    C13H9ClFNO          (Mass of molecular ion:    249)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          28.0       1.4
          38.0       1.2
          39.0       2.7
          41.0       1.3
          50.0       2.0
          51.0       2.1
          52.0       3.2
          62.0       2.5
          63.0       9.0
          64.0       2.8
          65.0       2.2
          69.0       2.1
          73.0       2.9
          74.0       2.0
          75.0      11.3
          76.0       1.6
          77.0       1.0
          82.5       1.6
          89.0       1.1
          90.0       9.6
          91.0       4.6
          92.0       1.2
          92.5       6.5
          93.0       1.6
          94.0       1.8
          95.0      30.7
          96.0       2.4
          98.0       1.6
          99.0      11.9
         100.0       1.6
         101.0       4.1
         105.0       1.4
         106.0       1.2
         106.5       2.4
         107.0       7.9
         107.5       1.0
         123.0      46.5
         124.0       4.3
         124.5       2.2
         125.0       3.0
         126.0      20.8
         127.0       2.7
         128.0       6.8
         139.0       1.5
         153.0       4.4
         154.0      37.1
         155.0       4.6
         156.0      12.1
         157.0       2.8
         164.0       1.3
         165.0       1.1
         166.0       2.4
         167.0       1.2
         184.0       2.2
         185.0       5.3
         186.0       1.4
         194.0       2.3
         195.0       3.6
         200.0       1.3
         201.0       2.2
         213.0       5.9
         214.0       2.2
         220.0       3.8
         221.0       1.1
         222.0       1.3
         228.0       2.1
         229.0      13.5
         230.0      21.6
         231.0       7.4
         232.0      18.2
         233.0       2.7
         234.0       3.9
         248.0      72.1
         249.0     100.0
         250.0      37.4
         251.0      32.7
         252.0       4.6
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C13 H9 Cl F N O 0.039 g : 0.5 ml CDCl3
    2-amino-5-chloro-2'-fluorobenzophenone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.485 B 7.401 C 7.27 D 7.25 E 7.225 G 7.167 J 6.663 K 6.40

         Hz     ppm     Int.
    

       3003.54   7.516    125
       3001.71   7.511    142
       2998.17   7.502    148
       2996.22   7.498    270
       2995.12   7.495    225
       2994.26   7.493    231
       2993.41   7.491    208
       2990.72   7.484    201
       2989.87   7.482    219
       2989.01   7.480    246
       2987.92   7.477    298
       2985.96   7.472    196
       2982.42   7.463    164
       2980.71   7.459    173
       2966.31   7.423    238
       2964.60   7.418    233
       2958.86   7.404    419
       2957.28   7.400    378
       2951.90   7.387    309
       2950.20   7.382    266
       2908.69   7.279    492
       2906.25   7.272   1000
       2904.17   7.267    866
       2901.00   7.259    245
       2897.83   7.251    639
       2896.85   7.249    658
       2893.07   7.240    678
       2890.50   7.233    697
       2889.40   7.230    368
       2884.28   7.218    651
       2881.71   7.211    539
       2878.05   7.202     46
       2877.32   7.200     50
       2873.29   7.190    328
       2872.44   7.188    313
       2863.77   7.166    526
       2855.22   7.145    278
       2854.37   7.143    268
       2667.24   6.674    920
       2658.45   6.652    855
       2555.91   6.396    287
    

in CDCl3

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KBr disk

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Nujol

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