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5444-75-7

BENZOIC ACID 2-ETHYLHEXYL ESTER

Product Name BENZOIC ACID 2-ETHYLHEXYL ESTER

CAS5444-75-7

MFC15H22O2

MW234.33

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  • 5444-75-7_ms_1
    Mass 

    MS-IW-3522          
2-ethylhexyl benzoate
C15H22O2            (Mass of molecular ion:    234)


       Source Temperature: 210 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV


          27.0       3.4
      29.0       5.8
      39.0       2.7
      41.0      11.5
      42.0       3.7
      43.0       6.5
      50.0       1.6
      51.0       7.3
      53.0       1.0
      54.0       1.1
      55.0      13.9
      56.0      11.2
      57.0      10.9
      68.0       1.1
      69.0       6.3
      70.0      70.1
      71.0       8.2
      76.0       1.7
      77.0      35.0
      78.0       2.8
      79.0       1.9
      82.0       2.6
      83.0      17.1
      84.0       9.5
      91.0       1.2
      92.0       1.5
      97.0       1.3
     105.0     100.0
     106.0       8.6
     112.0      45.8
     113.0       4.2
     122.0       2.3
     123.0      18.7
     124.0       1.4
     135.0       1.6

400 MHz in CDCl3

  • 5444-75-7_1hnmr_0

    1H NMR 399.65 MHz
    C15 H22 O2 0.05 ml : 0.5 ml CDCl3
    2-ethylhexyl benzoate
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             8.050
      B             7.530
      C             7.427
      D     *1      4.257
      E     *1      4.238
      F             1.716
      G     *2      1.48
      J     *2      1.45
      K             1.40
      L             1.33
      M             0.949
      N             0.91
  

         Hz     ppm     Int.


       3223.51   8.066     56
   3221.80   8.062    336
   3221.19   8.061    283
   3220.46   8.059    416
   3219.24   8.056    173
   3215.45   8.046    122
   3213.38   8.041    449
   3212.04   8.038    407
   3019.65   7.556     54
   3018.31   7.553    105
   3016.97   7.550     63
   3013.06   7.540     72
   3010.99   7.535    230
   3009.03   7.530     90
   3004.88   7.519    115
   3003.54   7.516    208
   3002.20   7.513    112
   2976.93   7.449     69
   2975.71   7.446    258
   2975.22   7.445    305
   2973.75   7.441    142
   2968.51   7.428    240
   2967.41   7.426    423
   2966.06   7.422    143
   2961.67   7.411     91
   2960.08   7.407    222
   2959.35   7.405    151
   2958.50   7.403     71
   1713.50   4.288     64
   1707.89   4.274     71
   1702.51   4.261    351
   1698.61   4.251    362
   1696.90   4.246    371
   1692.75   4.236    346
   1687.74   4.224     72
   1681.88   4.209     70
    698.97   1.749     30
    692.87   1.734     78
    686.77   1.719    114
    680.66   1.704     98
    674.68   1.689     48
    600.59   1.503     52
    596.80   1.494     46
    593.02   1.484    136
    589.36   1.475    133
    586.55   1.468    139
    585.45   1.465    153
    582.89   1.459    155
    582.03   1.457    154
    578.98   1.449    135
    575.56   1.441    160
    571.53   1.431     77
    568.24   1.422    107
    566.53   1.418     86
    563.23   1.410    122
    561.04   1.404    120
    558.72   1.399    127
    556.64   1.393    147
    554.44   1.388    110
    551.64   1.381     95
    550.29   1.377    125
    548.10   1.372     76
    540.04   1.352    202
    537.11   1.344    205
    534.18   1.337    249
    533.20   1.335    258
    531.74   1.331    232
    531.01   1.329    226
    528.69   1.323    270
    525.76   1.316    202
    521.73   1.306     95
    518.43   1.298     66
    386.72   0.968    529
    379.27   0.950   1000
    371.83   0.931    491
    368.53   0.923    244
    366.82   0.918    151
    361.69   0.906    526
    357.18   0.894    160
    355.83   0.891    136
    354.37   0.887    216

in CDCl3

  • 5444-75-7_13cnmr_0

liquid film

  • 5444-75-7_ir1_0

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