1,4-二溴-1,1,2,2-四氟丁烷(18599-20-7)質(zhì)譜(MS)

產(chǎn)品名稱:1,4-二溴-1,1,2,2-四氟丁烷

CAS:18599-20-7

分子式:C4H4Br2F4

分子量: 287.88

InChI:InChI=1S/C4H4Br2F4/c5-2-1-3(7,8)4(6,9)10/h1-2H2

InChIKey: ASHCDEYFCNWSTR-UHFFFAOYSA-N

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

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-8224          
1,4-dibromo-1,1,2,2-tetrafluorobutane
C4H4Br2F4           (Mass of molecular ion:    286)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      26.0       2.5
      27.0      19.0
      28.0       2.7
      31.0       4.8
      33.0       1.5
      39.0       2.2
      45.0       1.1
      47.0       5.7
      50.0       1.6
      51.0      13.2
      56.0       1.2
      57.0       4.2
      59.0       1.7
      64.0       3.2
      65.0      22.5
      69.0       4.8
      75.0       3.7
      77.0      64.1
      78.0       3.2
      79.0       1.3
      81.0       1.2
      93.0      20.0
      95.0      19.8
     100.0       8.2
     106.0       2.3
     107.0       9.7
     108.0      14.1
     109.0       8.5
     111.0       3.6
     113.0       3.6
     125.0       1.1
     127.0      92.0
     128.0       4.0
     129.0      16.6
     131.0      16.1
     137.0       1.7
     139.0       1.4
     155.0       1.9
     157.0      18.6
     159.0      16.3
     160.0       1.9
     162.0       1.4
     179.0       1.5
     181.0       1.5
     187.0      10.3
     189.0      10.0
     207.0     100.0
     208.0       4.5
     209.0      97.5
     210.0       4.3
     286.0       7.5
     288.0      14.6
     290.0       7.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₄ H₄ Br₂ F₄	0.05 ml : 0.5 ml CDCl₃
1,4-dibromo-1,1,2,2-tetrafluorobutane

    Assign.     Shift(ppm)

      A             3.506
      B             2.707

     Hz     ppm     Int.

   1409.91   3.528    868
   1407.59   3.523    147
   1401.86   3.508    867
   1400.39   3.505    576
   1395.63   3.493    175
   1393.55   3.487   1000
   1108.15   2.773    106
   1106.93   2.770    191
   1105.83   2.767    117
   1101.32   2.756     69
   1100.10   2.753    154
   1098.88   2.750    203
   1097.66   2.747    167
   1096.44   2.744     78
   1090.58   2.729    358
   1089.72   2.727    357
   1086.30   2.719     58
   1083.37   2.711    236
   1082.28   2.709    347
   1081.67   2.707    355
   1077.39   2.696     59
   1073.97   2.688    349
   1073.00   2.685    386
   1069.70   2.677     46
   1067.26   2.671     78
   1066.16   2.668    166
   1064.94   2.665    215
   1063.60   2.662    173
   1062.50   2.659     78
   1060.06   2.653     33
   1058.84   2.650     47
   1057.74   2.647    113
   1056.64   2.644    181
   1055.42   2.641    104

in CDCl3