378-13-2

2-氯-1,4-二溴-1,1,2-三氟丁烷(378-13-2)核磁圖(¹HNMR)

產品名稱:2-氯-1,4-二溴-1,1,2-三氟丁烷

CAS:378-13-2

分子式:C4H4Br2ClF3

分子量: 304.33

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

InChIKey: RJOGGYLEOPNVJV-UHFFFAOYSA-N

Smiles:C(Br)(F)(F)C(Cl)(F)CCBr

¹HNMR

¹³CNMR

IR1

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

    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