3607-17-8

(3-溴丙基)三苯基溴化磷(3607-17-8)質(zhì)譜(MS)

分子式:C21H21Br2P

分子量: 464.17

InChI:InChI=1S/C21H21BrP.BrH/c22-17-10-18-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21;/h1-9,11-16H,10,17-18H2;1H/q+1;/p-1

InChIKey: ZAHUZZUGJRPGKW-UHFFFAOYSA-M

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

Mass

MS-NW-7449          
(3-bromopropyl)triphenylphosphonium bromide
C21H21Br2P          (Mass of molecular ion:    462)

   Source Temperature: 240 °C
   Sample Temperature: 260 °C
   Direct, 75 eV

      18.0       2.2
      27.0       2.0
      28.0       1.0
      38.0       1.0
      39.0       7.9
      40.0       1.3
      41.0       8.5
      50.0       2.2
      51.0       7.6
      52.0       1.5
      53.0       1.5
      57.0       3.1
      63.0       2.0
      65.0       2.6
      67.0       1.4
      77.0       4.7
      78.0       2.3
      79.0       3.2
      80.0       7.8
      81.0       2.9
      82.0       7.9
      83.0       1.5
      91.0       3.2
     105.0       3.8
     107.0      14.4
     108.0      40.2
     109.0       3.7
     115.0       4.1
     116.0       1.0
     120.0       1.7
     128.0       1.6
     131.0       2.3
     133.0       3.1
     139.0       1.5
     141.0       1.6
     152.0       7.7
     153.0       2.0
     154.0       2.3
     157.0       3.7
     170.0       2.7
     181.0       1.3
     183.0      66.7
     184.0      14.8
     185.0      11.5
     186.0       1.7
     261.0      17.3
     262.0     100.0
     263.0      19.7
     264.0       2.0
     301.0       1.2
     302.0       1.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₁ H₂₁ Br₂ P	0.040 g : 0.5 ml CDCl₃
(3-bromopropyl)triphenylphosphonium bromide

    Assign.     Shift(ppm)

      A             7.86
      B             7.83
      C             7.735
      D             4.065
      E             3.853
      F             2.239

     Hz     ppm     Int.

   3151.37   7.886    444
   3150.27   7.883    575
   3145.14   7.870    197
   3143.19   7.865    788
   3141.72   7.862    733
   3140.14   7.858    283
   3137.94   7.852    853
   3135.99   7.847    304
   3134.64   7.844    205
   3131.59   7.836    810
   3130.13   7.833   1000
   3126.22   7.823    259
   3125.00   7.820    362
   3124.02   7.817    376
   3121.70   7.812    134
   3099.98   7.757    561
   3098.51   7.754    329
   3097.05   7.750    523
   3096.56   7.749    506
   3092.29   7.738    771
   3090.33   7.733    506
   3089.36   7.731    651
   3087.89   7.727    401
   3084.84   7.719    316
   3083.98   7.717    238
   3083.01   7.715    210
   3081.30   7.710    279
   1639.16   4.102    112
   1635.74   4.093     55
   1634.40   4.090     60
   1630.62   4.081     90
   1625.98   4.069    163
   1622.80   4.061    167
   1617.80   4.049     91
   1614.26   4.040     64
   1613.28   4.037     57
   1613.04   4.037     57
   1609.74   4.028    118
   1547.12   3.872    168
   1545.78   3.868    172
   1540.89   3.856    332
   1539.67   3.853    328
   1534.79   3.841    182
   1533.45   3.837    173
    911.87   2.282     31
    905.52   2.266     83
    904.79   2.264     80
    902.59   2.259     63
    902.22   2.258     62
    898.32   2.248    131
    896.61   2.244    111
    895.51   2.241    108
    892.82   2.235    106
    891.97   2.232    106
    891.11   2.230    109
    889.40   2.226    130
    885.50   2.216     61
    882.32   2.208     81
    876.10   2.193     31

in CDCl3