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Back ChemicalBook Home>CAS DataBase List>378-13-2More Spectrum> 2-Chloro-1,4-dibromo-1,1,2-trifluorobutane(378-13-2) 13C NMR

2-Chloro-1,4-dibromo-1,1,2-trifluorobutane(378-13-2) 13C NMR

Molecular FormulaC4H4Br2ClF3

Molecular Weight304.33

InChIInChI=1S/C4H4Br2ClF3/c5-2-1-3(7,8)4(6,9)10/h1-2H2

InChIKey RJOGGYLEOPNVJV-UHFFFAOYSA-N

SmilesC(Br)(F)(F)C(Cl)(F)CCBr


  • Mass

    MS-IW-8214          
    1,4-dibromo-2-chloro-1,1,2-trifluorobutane
    C4H4Br2ClF3         (Mass of molecular ion:    302)
    

       Source Temperature: 210 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          26.0       2.4
          27.0      19.2
          28.0       2.2
          31.0       5.7
          33.0       2.3
          37.0       2.0
          38.0       3.1
          39.0       8.3
          45.0       2.2
          47.0       2.9
          49.0       3.5
          50.0       1.6
          51.0       3.8
          56.0       2.3
          57.0      10.8
          58.0       1.3
          59.0       7.4
          63.0       2.2
          64.0       2.1
          65.0      26.1
          66.0       1.2
          67.0       8.6
          68.0       1.1
          69.0      11.1
          73.0       1.4
          75.0       3.5
          77.0       4.4
          79.0       1.4
          80.0       1.2
          81.0       7.1
          82.0       1.5
          83.0       2.2
          85.0       6.8
          87.0       2.8
          88.0       2.2
          89.0       3.7
          91.0       1.0
          93.0      41.4
          94.0       1.8
          95.0      37.9
          96.0       1.2
         105.0       1.5
         106.0       1.6
         107.0      19.2
         108.0      31.2
         109.0      16.9
         111.0       5.3
         113.0       3.9
         116.0       9.4
         117.0       1.0
         118.0       3.0
         123.0       2.9
         124.0       5.4
         125.0       4.9
         126.0       2.0
         127.0       6.9
         129.0      13.5
         131.0      10.0
         137.0       5.4
         139.0       5.2
         141.0       2.5
         142.0       1.0
         143.0     100.0
         144.0       4.8
         145.0      33.5
         146.0       1.4
         147.0       3.9
         155.0       1.6
         157.0       1.6
         173.0      21.8
         175.0      27.4
         176.0       1.5
         177.0       6.7
         178.0       1.0
         187.0      26.4
         188.0       1.5
         189.0      26.0
         190.0       1.3
         197.0       1.2
         203.0       2.0
         205.0       2.5
         223.0      68.7
         224.0       3.4
         225.0      89.8
         226.0       3.9
         227.0      21.8
         302.0       7.1
         304.0      16.0
         306.0      11.1
         308.0       2.1
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C4 H4 Br2 Cl F3 0.05 ml : 0.5 ml CDCl3
    1,4-dibromo-2-chloro-1,1,2-trifluorobutane
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 3.630 B *1 3.542 C *2 2.921 D *2 2.751

         Hz     ppm     Int.
    

       1465.82   3.668    423
       1460.69   3.655    465
       1455.57   3.643    831
       1450.32   3.629    860
       1444.70   3.615    833
       1439.45   3.602    797
       1428.10   3.574    831
       1422.97   3.561    883
       1417.97   3.549    585
       1416.63   3.545    957
       1412.84   3.536    591
       1411.50   3.532   1000
       1406.49   3.520    589
       1401.37   3.507    557
       1187.50   2.972    235
       1182.37   2.959    253
       1179.81   2.953    275
       1176.39   2.944    252
       1175.54   2.942    257
       1174.68   2.940    320
       1172.85   2.935    434
       1172.12   2.933    349
       1171.26   2.931    286
       1168.33   2.924    414
       1167.72   2.922    488
       1165.16   2.916    424
       1164.43   2.914    356
       1163.57   2.912    325
       1162.48   2.909    336
       1161.74   2.907    438
       1161.01   2.906    365
       1160.03   2.903    417
       1156.62   2.895    374
       1154.05   2.888    375
       1148.93   2.875    331
       1128.78   2.825    214
       1128.05   2.823    360
       1127.20   2.821    234
       1123.54   2.812    212
       1122.68   2.810    357
       1121.95   2.808    231
       1117.43   2.797    205
       1116.58   2.794    354
       1115.84   2.793    233
       1114.14   2.788    171
       1113.40   2.786    266
       1112.30   2.784    271
       1111.33   2.781    357
       1110.60   2.779    232
       1108.89   2.775    151
       1108.15   2.773    229
       1107.30   2.771    148
       1102.66   2.760    150
       1101.93   2.758    253
       1100.46   2.754    249
       1099.73   2.752    367
       1098.88   2.750    247
       1097.53   2.747    168
       1096.68   2.745    248
       1095.34   2.741    242
       1094.48   2.739    358
       1093.75   2.737    227
       1088.99   2.725    203
       1088.26   2.724    341
       1087.40   2.721    227
       1085.82   2.717    182
       1085.08   2.716    281
       1083.98   2.713    274
       1083.01   2.710    344
       1082.28   2.709    225
       1080.69   2.705    164
       1079.83   2.702    252
       1079.10   2.701    158
       1074.34   2.689    144
       1073.61   2.687    239
       1072.75   2.685    153
       1069.21   2.676    133
       1068.36   2.674    222
       1067.63   2.672    140
    

in CDCl3



liquid film



2-Chloro-1,4-dibromo-1,1,2-trifluorobutane(378-13-2) 13C NMR Atlas of Related Products

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