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网站主页CAS数据库列表 118-91-2更多图谱2-氯苯甲酸(118-91-2)Raman光谱

2-氯苯甲酸

产品名称 2-氯苯甲酸

CAS号118-91-2

分子式C7H5ClO2

分子量156.57

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  • Mass

    MS-NW-1839          
    o-chlorobenzoic acid
    C7H5ClO2            (Mass of molecular ion:    156)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          18.0       2.2
          27.0       1.3
          28.0       1.1
          37.0       4.0
          37.5       2.7
          38.0       6.5
          39.0       4.8
          45.0       3.5
          49.0       2.7
          50.0      19.7
          51.0      10.6
          53.0       1.2
          55.5       2.2
          61.0       1.6
          63.0       2.3
          64.0       3.1
          65.0       4.2
          69.5       2.7
          73.0       3.1
          74.0      10.3
          75.0      25.9
          76.0      15.4
          77.0       9.4
          84.0       1.8
          85.0       3.4
          87.0       1.2
          92.0       1.2
         110.0       1.3
         111.0      36.6
         112.0       4.0
         113.0      11.9
         114.0       1.3
         121.0       1.2
         128.0       2.9
         139.0     100.0
         140.0       7.8
         141.0      31.9
         142.0       2.5
         156.0      70.8
         157.0       5.6
         158.0      23.0
         159.0       1.8
    

400 MHz in DMSO-d6

90 MHz in DMSO-d6

in CDCl3


  • 1H NMR 399.65 MHz
    C7 H5 Cl O2 0.032 g : 0.5 ml DMSO-d6
    o-chlorobenzoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 13.43 B 7.808 C 7.56 D 7.55 E 7.447

         Hz     ppm     Int.
    

       5365.68  13.426     69
       3125.74   7.822    279
       3124.64   7.819    476
       3123.54   7.816    326
       3120.79   7.809     31
       3120.24   7.808     33
       3118.04   7.802    330
       3117.31   7.801    383
       3116.39   7.798    379
       3115.85   7.797    371
       3028.47   7.578     45
       3026.64   7.574    104
       3025.91   7.572    127
       3021.51   7.561   1000
       3020.42   7.558    985
       3018.58   7.554    655
       3018.03   7.552    612
       3015.65   7.546    617
       3014.19   7.543    515
       3010.89   7.534     30
       3007.59   7.526    134
       3006.13   7.522    127
       2988.36   7.478     55
       2983.23   7.465    348
       2981.22   7.460     68
       2980.30   7.458    317
       2977.37   7.450    254
       2975.54   7.446    337
       2974.62   7.444    271
       2972.98   7.439    302
       2970.78   7.434     34
       2969.31   7.430    229
       2966.93   7.424    218
    


  • 1H NMR 89.56 MHz
    C7 H5 Cl O2 0.043 g : 0.5 ml DMSO-d6
    o-chlorobenzoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 13. B 7.80 C 7.67 to 7.10

         Hz     ppm     Int.
    

        704.88   7.871    146
        703.32   7.854    245
        700.98   7.827    167
        697.75   7.791    276
        696.19   7.774    249
        694.92   7.760    260
        692.19   7.729     95
        691.11   7.717     75
        689.06   7.694     63
        687.79   7.680     58
        687.11   7.673     58
        686.52   7.666     56
        685.25   7.652     61
        684.67   7.645     63
        683.69   7.634     71
        680.86   7.603    159
        679.69   7.590    232
        678.32   7.574    456
        675.20   7.540   1000
        672.75   7.512    736
        669.63   7.477    241
        668.16   7.461    258
        667.38   7.452    238
        665.72   7.434    324
        662.60   7.399    140
        661.72   7.389    180
        660.94   7.380    161
        656.84   7.335     84
        654.39   7.307     38
    


  • 1HNMR (400 MHz, CDCl3): δ 8.09(d, J = 7.44 Hz, 1H), 7.50 (m, 1H), 7.40(m, 1H), 7.31(m, 1H)

in CDCl3

in DMSO-d6


  • 13CNMR (100MHz, CDCl3) δ 171.09, 134.83, 133.65, 132.54, 131.56, 128.46, 126.75.



CCl4 solution



KBr disc



nujol mull



4880 A,100M,powder