70340-04-4

(2-羟基苄基)三苯基溴化膦(70340-04-4)质谱(MS)

分子式:C25H22BrOP

分子量: 449.32

InChI:InChI=1S/C25H21OP.BrH/c26-25-19-11-10-12-21(25)20-27(22-13-4-1-5-14-22,23-15-6-2-7-16-23)24-17-8-3-9-18-24;/h1-19H,20H2;1H

InChIKey: FKKZGQXMWVGPMH-UHFFFAOYSA-N

Smiles:[P+](CC1C=CC=CC=1O)(C1C=CC=CC=1)(C1C=CC=CC=1)C1=CC=CC=C1.[Br-]

Mass

MS-NW-7208          
(o-hydroxybenzyl)triphenylphosphonium bromide
C25H22BrOP          (Mass of molecular ion:    448)

   Source Temperature: 190 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      17.0       1.2
      18.0       5.2
      38.0       1.3
      39.0       4.6
      50.0       3.9
      51.0       8.5
      52.0       5.2
      57.0       2.1
      63.0       2.0
      65.0       1.4
      74.0       1.2
      75.0       1.0
      76.0       1.2
      77.0       6.5
      78.0      13.5
      79.0       2.5
      80.0       6.5
      81.0       2.5
      82.0       6.4
      83.0       1.1
     106.0      11.0
     107.0      15.6
     108.0      28.7
     109.0       2.8
     115.0       2.6
     128.0       1.2
     131.0       2.8
     133.0       2.5
     139.0       1.4
     141.0       1.2
     152.0       5.9
     153.0       1.7
     154.0       1.8
     157.0       3.1
     170.0       2.4
     181.0       1.3
     183.0      54.8
     184.0      12.7
     185.0       9.5
     186.0       1.6
     261.0      16.2
     262.0     100.0
     263.0      20.0
     264.0       2.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₅ H₂₂ Br O P	0.035 g : 0.5 ml CDCl₃
(o-hydroxybenzyl)triphenylphosphonium bromide

    Assign.     Shift(ppm)

      A             8.98
      B             7.726
      C             7.56
      D             7.51
      E             7.283
      F             6.96
      G             6.94
      J             6.583
      K             4.578
     
     J(P-31,B)=1.6HZ
     J(P-31,C)=3.8HZ
     J(P-31,D)=12.1HZ
     J(P-31,K)=13.4HZ

     Hz     ppm     Int.

   3588.75   8.980    204
   3097.66   7.751     83
   3095.95   7.747    164
   3094.48   7.743    175
   3093.26   7.740    102
   3088.87   7.729    323
   3087.16   7.725    345
   3083.62   7.716    123
   3081.91   7.712    200
   3079.83   7.707    203
   3078.37   7.703     94
   3031.01   7.585    221
   3029.30   7.580    153
   3027.22   7.575    303
   3022.83   7.564    562
   3019.17   7.555    578
   3015.50   7.546    648
   3011.47   7.536   1000
   3004.39   7.518    278
   3002.56   7.513    254
   3000.37   7.508    547
   2999.39   7.506    561
   2992.19   7.488    320
   2990.84   7.484    223
   2914.79   7.294    147
   2906.62   7.273    165
   2791.99   6.987     44
   2790.28   6.982     62
   2787.84   6.976     52
   2782.35   6.962    117
   2780.64   6.958     87
   2776.61   6.948    113
   2774.90   6.944    151
   2772.71   6.938     99
   2769.65   6.931     97
   2767.33   6.925     99
   2637.70   6.601     93
   2630.37   6.582    160
   2622.80   6.563     77
   1836.06   4.595    285
   1822.63   4.561    284

in CDCl3