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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