17025-47-7

三溴甲基苯砜(17025-47-7)核磁图(¹³CNMR)

产品名称:三溴甲基苯砜

CAS:17025-47-7

分子式:C7H5Br3O2S

分子量: 392.89

InChI:InChI=1S/C7H5Br3O2S/c8-7(9,10)13(11,12)6-4-2-1-3-5-6/h1-5H

InChIKey: DWWMSEANWMWMCB-UHFFFAOYSA-N

Smiles:C1(S(C(Br)(Br)Br)(=O)=O)=CC=CC=C1

Mass

MS-NW-9365          
phenyl tribromomethyl sulfone
C7H5Br3O2S          (Mass of molecular ion:    390)

   Source Temperature: 180 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      18.0       1.2
      27.0       1.8
      38.0       1.3
      39.0       4.6
      45.0       1.5
      50.0      11.4
      51.0      39.2
      52.0       1.8
      53.0       2.3
      62.0       1.6
      63.0       3.4
      65.0       1.5
      69.0       1.2
      74.0       3.3
      75.0       2.5
      76.0       3.1
      77.0     100.0
      78.0       6.6
      81.0       1.4
      82.0       1.0
      89.0       6.4
      91.0       1.9
      93.0       1.9
      97.0       9.2
     109.0       1.0
     125.0      88.3
     126.0       6.6
     127.0       4.3
     141.0      63.0
     142.0       4.8
     143.0       3.2
     156.0       1.9
     158.0       1.9
     170.0       2.7
     172.0       4.2
     174.0       2.1
     247.0       1.6
     249.0      18.3
     251.0      47.4
     253.0      44.4
     255.0      14.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₅ Br₃ O₂ S	0.045 g : 0.5 ml CDCl₃
phenyl tribromomethyl sulfone

    Assign.     Shift(ppm)

      A             8.258
      B             7.807
      C             7.645

     Hz     ppm     Int.

   3307.37   8.276    114
   3305.54   8.272    803
   3304.32   8.269    907
   3303.59   8.267    453
   3302.61   8.264    307
   3300.78   8.260     53
   3298.95   8.255    263
   3297.00   8.250   1000
   3295.65   8.247    876
   3129.39   7.831    137
   3128.17   7.828    260
   3126.95   7.825    147
   3122.31   7.813    176
   3120.61   7.809    555
   3119.02   7.805    202
   3114.38   7.793    224
   3113.16   7.790    400
   3111.94   7.787    212
   3064.58   7.669    129
   3062.87   7.664    695
   3061.28   7.660    286
   3055.30   7.645    813
   3054.69   7.644    945
   3048.95   7.630    211
   3047.12   7.625    511
   3045.53   7.621    120

in CDCl3