7530-96-3

(10-羧基癸基)三苯基溴化鏻(7530-96-3)红外图谱(IR1)

分子式:C29H36BrO2P

分子量: 527.472701

InChI:InChI=1S/C29H35O2P.BrH/c30-29(31)24-16-5-3-1-2-4-6-17-25-32(26-18-10-7-11-19-26,27-20-12-8-13-21-27)28-22-14-9-15-23-28;/h7-15,18-23H,1-6,16-17,24-25H2;1H

InChIKey: WNFYJWNAWIJMEL-UHFFFAOYSA-N

Smiles:[P+](CCCCCCCCCCC(O)=O)(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.[Br-]

Mass

MS-IW-0636          
(10-carboxydecyl)triphenylphosphonium bromide
C29H36BrO2P         (Mass of molecular ion:    526)

   Source Temperature: 210 °C
   Sample Temperature: 230 °C
   Direct, 75 eV

      17.0       1.3
      18.0       6.9
      27.0       1.6
      28.0       2.5
      29.0       1.8
      39.0       2.7
      41.0       5.5
      42.0       1.4
      43.0       4.3
      44.0       1.9
      51.0       3.8
      54.0       1.2
      55.0       8.4
      56.0       2.2
      57.0       3.9
      60.0       6.9
      61.0       1.1
      63.0       1.0
      65.0       1.4
      67.0       2.0
      68.0       1.9
      69.0       5.4
      70.0       1.7
      71.0       2.8
      73.0       7.5
      74.0       1.1
      77.0       4.1
      78.0       2.3
      79.0       2.7
      80.0       8.6
      81.0       3.2
      82.0       8.5
      83.0       4.5
      84.0       2.6
      85.0       1.8
      87.0       1.8
      91.0       2.0
      95.0       1.6
      96.0       1.8
      97.0       2.3
      98.0       2.7
     101.0       1.1
     107.0      13.0
     108.0      43.7
     109.0       3.9
     115.0       3.8
     124.0       1.1
     128.0       1.3
     129.0       2.4
     131.0       1.7
     133.0       2.8
     139.0       1.6
     141.0       1.2
     143.0       1.1
     151.0       1.3
     152.0      11.9
     153.0       2.9
     154.0       2.2
     157.0       4.9
     170.0       2.4
     181.0       1.4
     183.0      79.0
     184.0      23.5
     185.0      10.0
     186.0       2.4
     199.0       6.5
     200.0       1.3
     201.0       2.9
     261.0      23.7
     262.0     100.0
     263.0      19.6
     264.0       1.9
     277.0      20.6
     278.0       7.1
     279.0       1.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₉ H₃₆ Br O₂ P	0.034 g : 0.5 ml CDCl₃
(10-carboxydecyl)triphenylphosphonium bromide

    Assign.     Shift(ppm)

      A          7.83 to 7.79
      B             7.729
      C             3.63
      D             2.352
      E             1.60
      F             1.60
      G          1.26 to 1.19

     Hz     ppm     Int.

   3146.73   7.874     31
   3146.36   7.873     30
   3144.65   7.869     33
   3144.17   7.868     34
   3140.50   7.859     54
   3132.69   7.839    624
   3124.51   7.819   1000
   3121.46   7.811    512
   3120.12   7.808    583
   3115.36   7.796    459
   3112.79   7.789    736
   3103.39   7.766     80
   3102.29   7.763     76
   3096.68   7.749    486
   3093.26   7.740    566
   3089.60   7.731    572
   3088.26   7.728    494
   3085.94   7.722    579
   3081.79   7.712    258
   3081.18   7.710    252
   3078.25   7.703    231
   1461.79   3.658     63
   1461.43   3.657     63
   1460.94   3.656     63
   1460.57   3.655     63
   1460.21   3.654     63
   1455.44   3.642     93
   1453.98   3.639     90
   1453.00   3.636     91
   1449.34   3.627    121
   1449.10   3.626    121
   1448.49   3.625    119
   1445.43   3.617    102
   1444.34   3.615    103
   1440.55   3.605     79
   1439.82   3.603     76
    947.51   2.371    202
    940.06   2.353    399
    932.74   2.334    220
    663.09   1.660     47
    662.60   1.658     49
    653.93   1.637    103
    653.32   1.635    104
    641.36   1.605    303
    640.99   1.604    302
    632.08   1.582    233
    628.17   1.572    154
    624.76   1.564    225
    617.55   1.546    160
    609.99   1.527     57
    521.61   1.306     30
    507.45   1.270    207
    503.42   1.260    289
    502.20   1.257    298
    500.98   1.254    300
    496.34   1.242    309
    491.94   1.231    263
    489.26   1.225    328
    485.72   1.216    287
    485.35   1.215    288
    482.67   1.208    389
    481.57   1.205    366
    475.71   1.191    611
    458.37   1.147     32

in CDCl3

KBr disc

nujol mull