25791-20-2

正十四烷基三苯基溴化膦(25791-20-2)核磁图(¹³CNMR)

分子式:C32H44BrP

分子量: 539.57

InChI:InChI=1S/C32H44P.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-22-29-33(30-23-16-13-17-24-30,31-25-18-14-19-26-31)32-27-20-15-21-28-32;/h13-21,23-28H,2-12,22,29H2,1H3;1H/q+1;/p-1

InChIKey: FUMBGFNGBMYHGH-UHFFFAOYSA-M

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

Mass

MS-IW-6516          
triphenyl(tetradecyl)phosphonium bromide
C32H44BrP           (Mass of molecular ion:    538)

   Source Temperature: 210 °C
   Sample Temperature: 280 °C
   Direct, 75 eV

      27.0       4.5
      28.0       5.9
      29.0       8.3
      39.0       5.4
      41.0      22.5
      42.0       7.3
      43.0      32.6
      44.0       1.2
      50.0       1.2
      51.0       4.2
      53.0       1.9
      54.0       4.1
      55.0      34.7
      56.0      22.2
      57.0      33.1
      58.0       1.4
      63.0       1.1
      65.0       1.6
      67.0       4.8
      68.0       3.7
      69.0      29.6
      70.0      20.8
      71.0      15.8
      77.0       3.2
      78.0       2.4
      79.0       2.3
      80.0       6.8
      81.0       2.9
      82.0       6.4
      83.0      21.0
      84.0      10.8
      85.0       8.4
      91.0       1.3
      96.0       2.0
      97.0      13.9
      98.0       5.3
      99.0       1.6
     107.0      13.2
     108.0      42.4
     109.0       3.7
     111.0       5.4
     112.0       2.7
     115.0       3.0
     125.0       1.8
     126.0       1.5
     128.0       1.2
     131.0       2.2
     133.0       2.9
     135.0       6.7
     137.0       6.6
     139.0       1.6
     141.0       1.4
     149.0       1.4
     151.0       1.8
     152.0       8.6
     153.0       2.1
     154.0       2.1
     157.0       3.9
     170.0       2.6
     181.0       1.3
     183.0      76.0
     184.0      18.4
     185.0      12.7
     186.0       3.8
     196.0       3.0
     199.0       2.4
     200.0       1.3
     201.0       1.0
     261.0      20.6
     262.0     100.0
     263.0      19.7
     264.0       1.8
     277.0       4.1
     278.0       1.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₃₂ H₄₄ Br P	0.042 g : 0.5 ml CDCl₃
triphenyl(tetradecyl)phosphonium bromide

    Assign.     Shift(ppm)

      A             7.85
      B             7.82
      C             7.72
      D             3.72
      E             1.628
      F             1.24
      G             1.19
      J             0.869

     Hz     ppm     Int.

   3147.46   7.876     58
   3145.51   7.871    308
   3144.41   7.868    436
   3142.94   7.865    220
   3139.40   7.856    147
   3137.33   7.851    613
   3135.86   7.847    552
   3131.84   7.837    652
   3130.25   7.833    272
   3128.05   7.827    154
   3125.37   7.821    778
   3123.54   7.816   1000
   3119.63   7.806    197
   3118.29   7.803    286
   3117.43   7.801    283
   3116.33   7.798    229
   3114.87   7.794    104
   3097.66   7.751    435
   3096.19   7.748    267
   3094.85   7.744    364
   3094.24   7.743    404
   3092.41   7.738    228
   3091.19   7.735    348
   3089.97   7.732    587
   3088.38   7.728    348
   3087.16   7.725    600
   3085.45   7.721    289
   3082.76   7.714    232
   3081.67   7.711    172
   3080.93   7.710    154
   3080.08   7.707    122
   3079.22   7.705    192
   3078.25   7.703    150
   1499.15   3.752     44
   1491.70   3.733     71
   1489.14   3.727     73
   1486.69   3.720     84
   1484.38   3.715     83
   1480.71   3.706     74
   1471.80   3.683     52
    652.71   1.634    251
    648.93   1.624    262
    520.51   1.303     46
    495.36   1.240    758
    484.25   1.212    388
    476.81   1.194    792
    354.37   0.887    259
    347.53   0.870    809
    340.58   0.853    315

in CDCl3