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(BROMOMETHYL)TRIPHENYLPHOSPHONIUM BROMIDE

Product Name (BROMOMETHYL)TRIPHENYLPHOSPHONIUM BROMIDE

CAS1034-49-7

MFC19H17Br2P

MW436.12

¹³CNMR

Mass

MS-NW-7000          
(bromomethyl)triphenylphosphonium bromide
C19H17Br2P          (Mass of molecular ion:    434)

   Source Temperature: 250 °C
   Sample Temperature: 280 °C
   Direct, 75 eV

      15.0       1.7
      39.0       2.6
      50.0       2.0
      51.0       7.1
      57.0       3.0
      63.0       1.9
      65.0       1.8
      77.0       3.7
      78.0       1.3
      79.0       5.1
      80.0      10.9
      81.0       4.9
      82.0      10.6
      83.0       1.4
      89.0       1.0
      91.0       1.5
      93.0       1.6
      94.0       5.4
      95.0       1.3
      96.0       5.2
     107.0      15.0
     108.0      34.7
     109.0       3.4
     115.0       3.9
     128.0       1.4
     131.0       1.9
     133.0       3.4
     139.0       1.8
     141.0       1.7
     152.0       8.4
     153.0       2.1
     154.0       2.2
     157.0       4.2
     165.0       1.2
     170.0       3.0
     181.0       1.5
     183.0      70.4
     184.0      15.0
     185.0      13.3
     186.0       1.9
     259.0       1.1
     260.0       1.4
     261.0      17.5
     262.0     100.0
     263.0      20.3
     264.0       2.3
     275.0       8.8
     276.0       3.5
     277.0       2.5

400 MHz in D2O at 60.C

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₉ H₁₇ Br₂ P	0.031 g : 0.5 ml D₂O at 60 C
(bromomethyl)triphenylphosphonium bromide

    Assign.     Shift(ppm)

      A             7.986
      B             7.867
      C             7.813
      D             2.919

     Hz     ppm     Int.

   3200.44   8.009    214
   3199.22   8.006    182
   3198.36   8.003    223
   3196.90   8.000    147
   3194.82   7.995    162
   3192.99   7.990    547
   3192.02   7.988    348
   3191.04   7.985    551
   3189.33   7.981    214
   3186.89   7.975    173
   3185.30   7.971    354
   3183.72   7.967    339
   3182.13   7.963    173
   3156.86   7.900    427
   3155.76   7.897    543
   3150.63   7.884    269
   3148.56   7.879    945
   3147.22   7.875    812
   3144.17   7.868    363
   3142.82   7.864    497
   3141.24   7.860    263
   3137.94   7.852    265
   3135.74   7.847   1000
   3134.28   7.843    869
   3129.39   7.831    720
   3127.44   7.826    317
   3125.37   7.821    779
   3121.95   7.812    801
   3118.04   7.802    814
   3115.72   7.797    326
   3113.77   7.792    354
   3111.57   7.786    206
   3109.50   7.781    306
   3108.52   7.779    333
   3104.00   7.767    221
   3096.56   7.749    155
   1173.46   2.937    114
   1159.55   2.902    114

¹H NMR	399.65 MHz
C₁₉ H₁₇ Br₂ P	0.036 g : 0.5 ml DMSO-d₆
(bromomethyl)triphenylphosphonium bromide

    Assign.     Shift(ppm)

      A             7.963
      B             7.904
      C             7.825
      D             5.813

     Hz     ppm     Int.

   3192.02   7.988    215
   3190.31   7.983    207
   3188.72   7.979    132
   3184.69   7.969    549
   3182.86   7.965    555
   3177.12   7.950    377
   3175.78   7.947    392
   3173.95   7.942    283
   3171.26   7.936    593
   3164.06   7.918    989
   3162.60   7.914    710
   3159.42   7.906    494
   3158.45   7.904    558
   3151.25   7.886   1000
   3149.78   7.882    730
   3138.67   7.854    662
   3134.89   7.845    725
   3130.98   7.835    805
   3127.32   7.826    805
   3123.05   7.815    373
   3120.97   7.810    194
   3119.14   7.805    376
   3116.70   7.799    148
   3114.01   7.792     33
   3113.65   7.791     34
   3112.55   7.789     30
   3109.38   7.781    219
   3104.86   7.769    154
   2326.66   5.822    540
   2319.70   5.805    533

in DMSO-d6

KBr disc

nujol mull

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