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2958-36-3

2-氨基-2',5-二氯二苯酮(2958-36-3)Raman光谱

分子式:C13H9Cl2NO

分子量: 266.12

InChI:InChI=1S/C13H9Cl2NO/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15/h1-7H,16H2

InChIKey: KWZYIAJRFJVQDO-UHFFFAOYSA-N

Smiles:C(C1=CC(Cl)=CC=C1N)(C1=CC=CC=C1Cl)=O

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    Mass

    MS-NW-9701          
    2-amino-2',5-dichlorobenzophenone
    C13H9Cl2NO          (Mass of molecular ion:    265)
    

       Source Temperature: 150 °C
       Sample Temperature:  80 °C
       Direct, 75 eV
    

          39.0       1.0
          50.0       1.2
          51.0       1.3
          52.0       1.4
          62.0       1.3
          63.0       4.8
          64.0       1.5
          65.0       1.1
          73.0       1.7
          74.0       1.4
          75.0       7.2
          76.0       1.3
          82.5       1.4
          83.5       1.0
          90.0       6.4
          91.0       2.8
          99.0       7.4
         100.0       1.1
         100.5       1.9
         101.0       2.8
         111.0      14.6
         112.0       1.2
         113.0       5.2
         115.0       5.5
         115.5       1.0
         116.0       1.8
         125.0       1.6
         126.0      14.0
         127.0       1.7
         128.0       4.6
         138.0       1.1
         139.0      22.2
         140.0       3.4
         141.0       6.6
         153.0       2.4
         154.0      28.9
         155.0       3.1
         156.0       9.6
         164.0       1.6
         165.0       1.1
         166.0       6.2
         167.0       8.9
         168.0       1.5
         194.0       1.8
         195.0      24.9
         196.0       3.8
         200.0       1.7
         201.0       5.2
         202.0       2.5
         203.0       1.9
         229.0      12.1
         230.0     100.0
         231.0      18.2
         232.0      32.7
         233.0       4.7
         236.0       4.1
         238.0       2.6
         248.0       3.7
         250.0       2.4
         264.0      18.6
         265.0      56.4
         266.0      19.9
         267.0      36.6
         268.0       7.0
         269.0       6.2
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C13 H9 Cl2 N O 0.036 g : 0.5 ml CDCl3
    2-amino-2',5-dichlorobenzophenone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.459 B 7.414 C 7.341 D 7.300 E 7.225 F 7.114 G 6.669 J 6.42

         Hz     ppm     Int.
    

       2987.43   7.476    274
       2986.94   7.474    299
       2985.84   7.472    372
       2983.40   7.466     74
       2979.61   7.456    619
       2979.00   7.455    685
       2978.03   7.452    748
       2977.54   7.451    705
       2971.31   7.435    401
       2969.60   7.431    417
       2964.11   7.417    617
       2962.40   7.413    629
       2958.74   7.404     81
       2956.30   7.398    368
       2954.35   7.393    381
       2950.20   7.382    410
       2948.61   7.378    397
       2946.78   7.374     83
       2942.75   7.364    663
       2941.28   7.360    683
       2937.87   7.352     76
       2937.38   7.350     75
       2935.55   7.346    374
       2934.08   7.342    354
       2930.42   7.333     39
       2925.17   7.320     52
       2921.14   7.310    601
       2920.65   7.309    644
       2919.31   7.305    584
       2918.82   7.304    578
       2913.33   7.290    425
       2911.87   7.287    359
       2897.46   7.250     38
       2893.31   7.240    547
       2890.87   7.234    609
       2884.52   7.218    590
       2881.96   7.212    656
       2844.36   7.118    985
       2841.92   7.112    911
       2675.29   6.695     30
       2669.68   6.681   1000
       2666.99   6.674     84
       2665.41   6.670     63
       2663.70   6.666     74
       2660.77   6.658    953
       2586.55   6.473    311
    

in CDCl3

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KBr disc

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nujol mull

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