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(4-Carboxybutyl)triphenylphosphonium bromide

Product Name (4-Carboxybutyl)triphenylphosphonium bromide

CAS17814-85-6

MFC23H24BrO2P

MW443.31

¹³CNMR

Mass

MS-IW-0674          
(4-carboxybutyl)triphenylphosphonium bromide
C23H24BrO2P         (Mass of molecular ion:    442)

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

      18.0       4.1
      27.0       1.1
      28.0       2.3
      39.0       2.2
      41.0       1.8
      42.0       1.1
      50.0       1.1
      51.0       3.6
      52.0       1.4
      55.0       4.3
      56.0       1.5
      57.0       1.2
      65.0       1.1
      77.0       3.3
      78.0       1.1
      79.0       2.7
      80.0       9.1
      81.0       2.9
      82.0       8.8
      83.0       1.5
      84.0       2.9
      91.0       1.5
     107.0       9.6
     108.0      30.8
     109.0       3.3
     115.0       2.4
     128.0       1.2
     131.0       1.4
     133.0       3.6
     139.0       1.0
     141.0       1.0
     152.0       8.3
     153.0       2.1
     154.0       1.7
     157.0       3.2
     165.0       1.4
     170.0       1.9
     178.0       1.4
     181.0       1.0
     183.0      61.8
     184.0      17.8
     185.0      11.6
     186.0       2.1
     199.0       3.9
     201.0       3.0
     209.0       1.1
     219.0       1.0
     259.0       1.0
     260.0       1.6
     261.0      20.4
     262.0     100.0
     263.0      19.8
     264.0       1.9
     267.0       3.1
     277.0      17.8
     278.0       6.9
     279.0       1.1
     287.0      16.4
     288.0       4.1
     289.0       1.0
     313.0       1.1
     315.0       3.4
     316.0       1.5
     342.0       1.1
     343.0      40.4
     344.0      31.9
     345.0       6.9

400 MHz in CDCl3

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₂₃ H₂₄ Br O₂ P	0.013 g : 0.5 ml CDCl₃
(4-carboxybutyl)triphenylphosphonium bromide

    Assign.     Shift(ppm)

      A             7.81
      B             7.79
      C             7.72
      D             3.645
      E             2.640
      F             1.944
      G             1.73

     Hz     ppm     Int.

   3146.00   7.872     31
   3145.63   7.871     35
   3140.75   7.859     31
   3140.50   7.859     31
   3139.77   7.857     33
   3138.31   7.853     50
   3137.21   7.850     55
   3136.23   7.848     48
   3133.79   7.842     61
   3132.81   7.839     70
   3132.45   7.838     69
   3131.47   7.836     74
   3129.64   7.831    129
   3128.30   7.828    230
   3126.95   7.825    296
   3126.22   7.823    344
   3124.02   7.817    665
   3122.44   7.813    500
   3121.22   7.810    631
   3119.02   7.805    794
   3116.94   7.800    905
   3115.84   7.797   1000
   3114.14   7.793    727
   3112.79   7.789    680
   3111.45   7.786    876
   3106.45   7.773    274
   3104.25   7.768    918
   3102.78   7.764    748
   3092.41   7.738    664
   3088.87   7.729    761
   3086.06   7.722    591
   3085.21   7.720    687
   3082.40   7.713    638
   3081.54   7.711    730
   3080.69   7.709    680
   3077.51   7.701    370
   3076.54   7.699    289
   3075.56   7.696    225
   3073.97   7.692    298
   3073.00   7.690    234
   3069.34   7.681     46
   3068.73   7.679     40
   1471.31   3.682    107
   1469.48   3.677     67
   1468.51   3.675     68
   1468.14   3.674     67
   1465.94   3.669     76
   1462.77   3.661    111
   1458.13   3.649    158
   1455.08   3.641    167
   1449.83   3.628    106
   1448.12   3.624     77
   1447.27   3.622     76
   1447.02   3.621     76
   1445.19   3.617     60
   1444.70   3.615     61
   1444.46   3.615     61
   1441.77   3.608    106
   1066.89   2.670     31
   1062.13   2.658    188
   1059.20   2.651     95
   1055.30   2.641    394
   1048.34   2.624    199
    792.11   1.983     31
    789.67   1.976     60
    788.33   1.973     50
    787.96   1.972     47
    787.60   1.971     46
    787.23   1.970     47
    786.62   1.969     50
    782.96   1.960    176
    776.00   1.942    261
    769.17   1.925    183
    764.40   1.913     41
    762.94   1.910     53
    762.21   1.908     57
    709.35   1.775     42
    708.98   1.775     41
    708.01   1.772     38
    707.40   1.771     37
    706.67   1.769     37
    706.30   1.768     40
    701.29   1.755    104
    701.05   1.755    104
    699.34   1.750     89
    697.27   1.745     98
    694.09   1.737    156
    693.60   1.736    157
    690.31   1.728    115
    689.33   1.725    117
    689.09   1.725    117
    688.35   1.723    117
    685.91   1.717    146
    683.35   1.710    101
    682.50   1.708     86
    680.91   1.704     70
    680.05   1.702     70
    679.81   1.702     70
    678.10   1.697     84

¹H NMR	399.65 MHz
C₂₃ H₂₄ Br O₂ P	0.032 g : 0.5 ml DMSO-d₆
(4-carboxybutyl)triphenylphosphonium bromide

    Assign.     Shift(ppm)

      A            12.1
      B             7.91
      C             7.83
      D             7.79
      E             3.668
      F             2.302
      G             1.713
      J             1.576

     Hz     ppm     Int.

   3171.34   7.936    120
   3169.33   7.931    122
   3167.32   7.926     94
   3164.20   7.918    287
   3162.37   7.913    308
   3157.06   7.900    217
   3155.41   7.896    227
   3153.76   7.892    114
   3138.74   7.854    286
   3131.60   7.836    553
   3130.32   7.833    481
   3126.47   7.824    237
   3119.69   7.807   1000
   3117.86   7.802    689
   3116.03   7.797    617
   3112.73   7.789    481
   3109.07   7.780    459
   3104.86   7.769    196
   3101.01   7.760    134
   1479.99   3.704     56
   1477.24   3.697     37
   1476.87   3.696     37
   1472.11   3.684     59
   1471.74   3.683     59
   1470.46   3.680     58
   1469.18   3.677     61
   1468.81   3.676     61
   1465.88   3.668     94
   1465.52   3.668     94
   1464.42   3.665     98
   1460.75   3.656     59
   1459.65   3.653     60
   1458.55   3.650     61
   1458.19   3.649     60
   1450.31   3.629     60
    927.37   2.321    136
    920.23   2.303    300
    913.08   2.285    156
    692.55   1.733     93
    685.41   1.716    142
    678.08   1.697    115
    670.57   1.678     43
    641.63   1.606     63
    639.43   1.600     56
    638.52   1.598     55
    634.31   1.588     89
    633.94   1.587     89
    626.61   1.568     84
    621.85   1.556     46
    621.12   1.555     46
    620.38   1.553     46
    619.65   1.551     46

in CDCl3

in DMSO-d6

KBr disc

nujol mull

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