Triphenyl(propyl)phosphonium bromide(6228-47-3) IR1

Product NameTriphenyl(propyl)phosphonium bromide

Molecular FormulaC21H22BrP

Molecular Weight385.28

InChIInChI=1S/C21H22P.BrH/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-17H,2,18H2,1H3;1H/q+1;/p-1

InChIKey XMQSELBBYSAURN-UHFFFAOYSA-M

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

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Mass

MS-IW-6135          
triphenylpropylphosphonium bromide
C21H22BrP           (Mass of molecular ion:    384)

   Source Temperature: 180 °C
   Sample Temperature: 240 °C
   Direct, 75 eV

      27.0       2.5
      28.0       2.6
      39.0       4.0
      40.0       1.1
      41.0       6.5
      42.0       3.3
      43.0       7.0
      50.0       1.9
      51.0       3.7
      57.0       1.4
      65.0       1.0
      77.0       2.1
      78.0       2.4
      79.0       2.2
      80.0       6.5
      81.0       2.4
      82.0       6.4
      91.0       2.4
     107.0      12.6
     108.0      38.1
     109.0       4.1
     115.0       2.6
     122.0       1.3
     124.0       1.2
     131.0       2.3
     133.0       2.7
     139.0       1.4
     141.0       1.1
     152.0       6.8
     153.0       1.7
     154.0       1.7
     157.0       3.8
     170.0       2.0
     181.0       1.1
     183.0      63.4
     184.0      16.1
     185.0      10.6
     186.0       3.0
     199.0       1.9
     227.0       1.2
     228.0       2.1
     261.0      19.6
     262.0     100.0
     263.0      19.8
     264.0       1.9
     289.0      18.5
     290.0       4.1
     303.0       3.9
     304.0       4.0
     305.0       4.6
     306.0       1.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₁ H₂₂ Br P	0.040 g : 0.5 ml CDCl₃
triphenylpropylphosphonium bromide

    Assign.     Shift(ppm)

      A             7.84
      B             7.83
      C             7.72
      D             3.696
      E             1.717
      F             1.245

     Hz     ppm     Int.

   3145.39   7.871     88
   3143.55   7.866    459
   3142.33   7.863    655
   3140.75   7.859    326
   3137.45   7.851    229
   3135.25   7.845   1000
   3133.79   7.842    944
   3130.98   7.835    582
   3129.64   7.831    694
   3127.32   7.826    574
   3125.61   7.821    582
   3124.76   7.819    561
   3122.68   7.814    913
   3121.46   7.811    915
   3119.75   7.807    482
   3118.53   7.804    515
   3116.94   7.800    200
   3116.09   7.798    130
   3101.20   7.760    173
   3100.10   7.758    499
   3099.37   7.756    663
   3097.90   7.752    406
   3096.56   7.749    607
   3095.95   7.747    638
   3092.90   7.740    508
   3091.67   7.736    908
   3089.60   7.731    567
   3088.62   7.729    660
   3087.65   7.726    489
   3086.18   7.723    289
   3084.35   7.718    360
   3083.37   7.716    257
   3082.64   7.714    218
   3080.93   7.710    351
   3079.96   7.707    202
   3078.74   7.704     67
   1491.82   3.733    151
   1488.77   3.726     49
   1486.33   3.720     83
   1483.52   3.713    126
   1481.08   3.706    100
   1479.25   3.702    190
   1475.59   3.693    198
   1473.75   3.688    107
   1471.07   3.681    126
   1468.63   3.675     80
   1466.19   3.669     61
   1463.01   3.661    158
    703.25   1.760     69
    700.07   1.752     36
    697.63   1.746     54
    695.68   1.741    114
    694.46   1.738    131
    692.75   1.734     79
    690.55   1.728     78
    687.01   1.720    184
    683.72   1.711     81
    681.52   1.706     84
    679.57   1.701    137
    678.47   1.698    120
    676.39   1.693     58
    674.19   1.687     41
    670.90   1.679     76
    505.74   1.266    315
    503.91   1.261    326
    498.54   1.248    661
    496.70   1.243    674
    491.09   1.229    286
    489.38   1.225    280

in CDCl3