33462-81-6

环丙基二苯基锍四氟硼酸盐(33462-81-6)核磁图(¹³CNMR)

产品名称:环丙基二苯基锍四氟硼酸盐

CAS:33462-81-6

分子式:C15H15BF4S

分子量: 314.15

InChI:InChI=1S/C15H15S.BF4/c1-3-7-13(8-4-1)16(15-11-12-15)14-9-5-2-6-10-14;2-1(3,4)5/h1-10,15H,11-12H2;/q+1;-1

InChIKey: DWEYKSWKFYZEGZ-UHFFFAOYSA-N

Smiles:[S+](C1C=CC=CC=1)(C1=CC=CC=C1)C1CC1.[B-](F)(F)(F)F

Mass

MS-IW-0822          
cyclopropyldiphenylsulfonium tetrafluoroborate
C15H15BF4S          (Mass of molecular ion:    314)

   Source Temperature: 180 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      18.0       2.2
      20.0       1.1
      27.0       1.4
      39.0       7.8
      40.0       1.8
      41.0       2.8
      45.0       1.9
      48.0       2.4
      49.0       9.5
      50.0       1.7
      51.0       8.6
      59.0       7.6
      60.0       4.8
      63.0       1.9
      65.0       5.5
      66.0       1.5
      68.0       1.0
      69.0       2.7
      76.0       1.1
      77.0       9.4
      78.0       2.3
      79.0       1.9
      89.0       2.3
      91.0       5.6
      92.0       5.3
      93.0       1.8
      99.0       1.5
     102.0       1.6
     103.0       1.5
     105.0       1.9
     108.0       1.3
     109.0       4.7
     110.0       1.7
     115.0      21.5
     116.0       9.8
     117.0       9.7
     121.0       2.3
     134.0       8.9
     135.0       7.4
     136.0       1.0
     139.0       1.8
     141.0       2.3
     142.0       1.1
     147.0       9.1
     148.0       3.3
     149.0      32.2
     150.0       5.2
     151.0       3.0
     152.0       7.8
     153.0       3.8
     154.0       1.5
     165.0       3.5
     166.0       1.0
     167.0       1.8
     171.0       4.1
     178.0       9.7
     179.0       1.7
     183.0       1.4
     184.0      29.7
     185.0      70.8
     186.0     100.0
     187.0      16.3
     188.0       5.3
     197.0       8.2
     198.0       1.4
     199.0       1.1
     210.0       2.5
     211.0      50.7
     212.0       8.4
     213.0       2.9
     225.0       3.8
     226.0      49.6
     227.0       9.4
     228.0       3.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₅ H₁₅ B F₄ S	0.032 g : 0.5 ml DMSO-d₆
cyclopropyldiphenylsulfonium tetrafluoroborate

    Assign.     Shift(ppm)

      A             8.062
      B             7.833
      C             7.787
      D             3.927
      E     *1      1.621
      F     *1      1.529

     Hz     ppm     Int.

   3229.06   8.080     84
   3226.32   8.073    610
   3225.71   8.072    579
   3225.10   8.070    672
   3224.33   8.068    329
   3223.57   8.066    374
   3220.21   8.058    241
   3218.08   8.053   1000
   3216.71   8.049    671
   3141.94   7.862     75
   3140.72   7.859    139
   3139.34   7.856     96
   3136.14   7.848    104
   3133.24   7.840    469
   3130.95   7.835    159
   3127.44   7.826    304
   3126.07   7.823    497
   3124.69   7.819    245
   3122.86   7.814     53
   3120.12   7.808    141
   3118.13   7.803    558
   3117.52   7.801    714
   3116.00   7.797    308
   3111.72   7.787    392
   3109.89   7.782    795
   3108.06   7.777    180
   3107.15   7.775    126
   3104.55   7.769    166
   3102.87   7.764    330
   3101.35   7.761    189
   3100.43   7.758     92
   1581.57   3.958     32
   1577.45   3.948     73
   1574.25   3.940     84
   1569.98   3.929    154
   1565.70   3.918     89
   1562.50   3.910     81
   1558.23   3.899     39
    658.57   1.648     34
    657.35   1.645     45
    653.08   1.635    114
    652.01   1.632    117
    650.18   1.627    190
    649.41   1.625    185
    648.04   1.622    214
    645.29   1.615    221
    643.92   1.612    156
    640.87   1.604     91
    639.65   1.601     65
    634.46   1.588     35
    630.04   1.577     34
    627.29   1.570     34
    625.61   1.566     34
    620.73   1.554     75
    619.35   1.550     68
    616.46   1.543    109
    614.32   1.538    183
    613.25   1.535    175
    612.34   1.533    156
    608.98   1.524    123
    606.99   1.519    192
    605.01   1.514    122
    599.67   1.501     42
    598.45   1.498     39

in DMSO-d6