14114-05-7

溴化环丙基三苯鏻(14114-05-7)核磁图(¹HNMR)

分子式:C21H20BrP

分子量: 383.26

InChI:InChI=1S/C21H20P.BrH/c1-4-10-18(11-5-1)22(21-16-17-21,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15,21H,16-17H2;1H/q+1;/p-1

InChIKey: XMPWFKHMCNRJCL-UHFFFAOYSA-M

Smiles:[P+](C1C=CC=CC=1)(C1=CC=CC=C1)(C1C=CC=CC=1)C1CC1.[Br-]

Mass

MS-NW-7133          
cyclopropyltriphenylphosphonium bromide
C21H20BrP           (Mass of molecular ion:    382)

   Source Temperature: 230 °C
   Sample Temperature: 310 °C
   Direct, 75 eV

      15.0       1.3
      18.0       2.0
      26.0       1.2
      27.0       3.9
      28.0       2.7
      37.0       1.5
      38.0       3.0
      39.0      18.8
      40.0       3.3
      41.0      23.1
      42.0       2.3
      50.0       4.2
      51.0      13.1
      52.0       2.4
      53.0       1.0
      56.0       1.4
      57.0       5.3
      63.0       3.3
      65.0       4.2
      67.0       2.2
      69.0       1.5
      74.0       1.5
      75.0       1.5
      76.0       2.0
      77.0       7.4
      78.0       6.8
      79.0       4.6
      80.0      11.6
      81.0       4.6
      82.0      12.1
      83.0       2.4
      89.0       1.7
      91.0       7.0
     102.0       1.5
     105.0       1.3
     107.0      20.9
     108.0      57.2
     109.0       7.3
     115.0       9.2
     116.0       4.1
     117.0       7.5
     118.0       1.0
     120.0       2.2
     121.0       1.0
     122.0       1.7
     126.0       1.0
     128.0       2.2
     131.0       2.9
     133.0       7.1
     134.0       1.1
     135.0       1.1
     139.0       2.1
     141.0       2.2
     147.0       1.2
     151.0       1.4
     152.0      11.4
     153.0       3.4
     154.0       4.2
     157.0       5.3
     165.0       1.9
     170.0       3.4
     178.0       1.5
     181.0       1.9
     182.0       1.1
     183.0      85.5
     184.0      20.2
     185.0      18.4
     186.0       3.6
     187.0       1.2
     200.0       1.3
     225.0       4.8
     226.0       8.6
     227.0       1.7
     228.0       1.1
     230.0       1.2
     257.0       1.3
     259.0       2.6
     260.0       2.4
     261.0      17.6
     262.0     100.0
     263.0      19.4
     264.0       2.0
     301.0       4.2
     302.0       5.2
     303.0       5.0
     304.0       1.2
     338.0       2.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₁ H₂₀ Br P	0.041 g : 0.5 ml CDCl₃
cyclopropyltriphenylphosphonium bromide

    Assign.     Shift(ppm)

      A             7.84
      B             7.82
      C             7.726
      D             3.284
      E             1.818
      F             0.634

     Hz     ppm     Int.

   3141.11   7.860     94
   3139.89   7.857    208
   3139.28   7.856    185
   3138.55   7.854    219
   3137.94   7.852    256
   3136.47   7.849    229
   3135.50   7.846    496
   3134.16   7.843    662
   3132.57   7.839    893
   3130.49   7.834    602
   3129.15   7.830    411
   3128.54   7.829    402
   3126.22   7.823   1000
   3125.24   7.820    900
   3123.05   7.815    689
   3121.70   7.812    793
   3116.70   7.799    236
   3114.50   7.794    895
   3113.04   7.790    715
   3097.29   7.751    649
   3093.75   7.742    713
   3090.70   7.734    574
   3089.97   7.732    636
   3086.91   7.725    607
   3086.30   7.723    707
   3085.45   7.721    640
   3083.74   7.717    238
   3082.03   7.712    352
   3081.30   7.710    262
   3080.08   7.707    187
   3078.49   7.703    319
   3077.76   7.702    231
   1325.44   3.317     46
   1322.63   3.310     63
   1319.70   3.303     35
   1316.89   3.296    133
   1314.09   3.289     74
   1311.16   3.281     77
   1308.35   3.274    135
   1305.54   3.267     35
   1302.49   3.260     69
   1299.68   3.253     50
    742.19   1.858     38
    741.82   1.857     38
    736.94   1.844    127
    735.35   1.840    131
    732.54   1.833     74
    731.81   1.832     67
    726.81   1.819    252
    725.59   1.816    183
    722.17   1.808     67
    721.31   1.805     72
    720.83   1.804     73
    718.38   1.798    124
    716.80   1.794    135
    711.43   1.781     40
    270.39   0.677     47
    265.50   0.665    146
    264.16   0.661    156
    259.64   0.650    148
    258.30   0.647    150
    253.54   0.635     86
    248.66   0.623    144
    247.31   0.619    160
    242.92   0.608    143
    241.46   0.605    150
    236.69   0.593     39

in CDCl3