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网站主页CAS数据库列表 85-56-3更多图谱2-(4-氯苯甲酰)苯甲酸(85-56-3)Raman光谱

2-(4-氯苯甲酰)苯甲酸

产品名称 2-(4-氯苯甲酰)苯甲酸

CAS号85-56-3

分子式C14H9ClO3

分子量260.67

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  • Mass

    MS-NW-7931          
    o-(p-chlorobenzoyl)benzoic acid
    C14H9ClO3           (Mass of molecular ion:    260)
    

       Source Temperature: 180 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          18.0       2.2
          28.0       1.1
          39.0       6.4
          44.0       4.6
          50.0      10.0
          51.0       8.9
          53.0       1.5
          63.0       2.3
          65.0      13.5
          74.0       4.8
          75.0      20.6
          75.5       1.1
          76.0      12.4
          77.0       8.6
          85.0       1.9
          93.0       8.9
          94.0       1.3
         104.0       7.8
         105.0      15.8
         106.0       1.3
         110.0       1.2
         111.0      36.0
         112.0       5.7
         113.0      12.2
         114.0       1.8
         121.0       6.3
         139.0     100.0
         140.0       8.1
         141.0      32.1
         142.0       2.6
         149.0      58.2
         150.0       7.2
         151.0       4.2
         152.0       9.8
         153.0       3.2
         181.0      62.1
         182.0       9.1
         186.0       1.0
         214.0       1.2
         215.0       4.0
         216.0       8.6
         217.0       2.2
         218.0       2.8
         243.0       2.8
         260.0      33.9
         261.0       5.5
         262.0      11.4
         263.0       1.9
    

400 MHz in DMSO-d6

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C14 H9 Cl O3 0.042 g : 0.5 ml DMSO-d6
    o-(p-chlorobenzoyl)benzoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 13.3 B 8.021 C 7.747 D 7.679 E 7.635 F 7.575 G 7.454

         Hz     ppm     Int.
    

       3209.63   8.032    291
       3202.12   8.013    323
       3105.77   7.772    158
       3104.49   7.769    176
       3098.26   7.753    418
       3096.98   7.750    426
       3090.75   7.734    319
       3089.47   7.731    300
       3076.65   7.699    299
       3075.18   7.695    339
       3072.80   7.689     41
       3071.34   7.686     41
       3068.95   7.680    427
       3067.67   7.676    453
       3061.44   7.661    218
       3059.98   7.657    251
       3057.23   7.650    484
       3048.62   7.629    907
       3030.49   7.583   1000
       3021.88   7.562    533
       2983.05   7.465    354
       2982.32   7.463    367
       2975.72   7.446    323
       2974.81   7.444    320
    


  • 1H NMR 399.65 MHz
    C14 H9 Cl O3 0.035 g : 0.5 ml CDCl3
    o-(p-chlorobenzoyl)benzoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11. B 8.074 C 7.667 D 7.636 E 7.573 F 7.376 G 7.350

         Hz     ppm     Int.
    

       3231.42   8.086    276
       3230.87   8.085    281
       3223.73   8.067    296
       3223.00   8.065    294
       3082.14   7.713     31
       3081.41   7.711     32
       3073.53   7.691    176
       3072.25   7.688    188
       3066.02   7.672    407
       3064.74   7.669    408
       3058.51   7.653    429
       3056.32   7.648    840
       3054.30   7.643    348
       3049.54   7.631    359
       3047.52   7.626    923
       3045.33   7.620    206
       3040.20   7.608     48
       3038.55   7.604     58
       3034.15   7.593    238
       3032.87   7.589    250
       3026.28   7.573    331
       3025.18   7.570    340
       3018.77   7.554    160
       3017.48   7.551    154
       3014.92   7.544     35
       2954.29   7.393    231
       2952.09   7.387   1000
       2950.08   7.382    375
       2945.13   7.370    357
       2943.30   7.365    914
       2940.92   7.359    497
       2940.01   7.357    425
       2933.23   7.340    347
       2932.50   7.338    336
    

KBr disc



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