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BENZOIC ACID 2-METHYLPENTYL ESTER

Product Name BENZOIC ACID 2-METHYLPENTYL ESTER

CAS59736-57-1

MFC13H18O2

MW206.28

¹³CNMR

Mass

MS2015-05286CW      
2-methylpentyl benzoate
C13H18O2            (Mass of molecular ion:    206)

   Source Temperature: 250 °C
   Sample Temperature: 250 °C
   Reservoir, 70 eV

      27.0       2.9
      29.0       2.6
      39.0       4.6
      41.0      14.5
      42.0       5.3
      43.0       5.4
      50.0       1.8
      51.0       6.4
      53.0       1.7
      55.0       9.9
      56.0      27.1
      57.0       1.5
      67.0       1.6
      69.0      22.1
      70.0       1.4
      76.0       1.5
      77.0      28.1
      78.0       2.5
      79.0       2.0
      84.0      47.8
      85.0       3.4
     105.0     100.0
     106.0       8.3
     122.0       4.6
     123.0      19.6
     124.0       1.6
     135.0       1.1

90 MHz in CDCl3

in CDCl3

¹H NMR	89.56 MHz
C₁₃ H₁₈ O₂	0.04 ml : 0.5 ml CDCl₃
2-methylpentyl benzoate

    Assign.     Shift(ppm)

      A             8.05
      B             7.50
      C             7.47
      D     *1      4.193
      E     *1      4.136
      F             1.94
      G          1.64 to 1.09
      J             1.018
      K             0.93
     
     J(D,E)=-10.7HZ
     J(D,F)=5.9HZ
     J(E,F)=6.4HZ

     Hz     ppm     Int.

    726.06   8.107    250
    724.44   8.089    252
    722.81   8.071    128
    721.94   8.061    103
    720.50   8.045     90
    719.00   8.029    193
    718.50   8.023    192
    717.63   8.013    101
    716.25   7.998    334
    715.06   7.985     71
    684.75   7.646     42
    682.94   7.626     40
    677.94   7.570     88
    676.75   7.557    114
    673.94   7.526    110
    673.19   7.517    188
    671.19   7.495    527
    670.38   7.486    207
    669.31   7.474    192
    668.94   7.470    182
    667.63   7.455    114
    665.56   7.432    121
    664.56   7.421    153
    663.94   7.414    201
    663.44   7.408    222
    661.94   7.392     40
    661.06   7.382     33
    659.81   7.368     46
    658.31   7.351     86
    656.81   7.334     39
    655.06   7.315     53
    387.81   4.331     51
    381.94   4.265     59
    377.13   4.211    318
    374.19   4.179    336
    371.19   4.145    340
    367.81   4.107    338
    363.50   4.059     54
    357.13   3.988     59
    177.50   1.982     33
    176.81   1.975     33
    176.50   1.971     33
    171.44   1.915     36
    170.69   1.906     37
    137.19   1.532     37
    136.13   1.520     38
    134.63   1.504     50
    133.81   1.495     41
    131.63   1.470     54
    129.94   1.451    128
    128.56   1.436     75
    127.88   1.428     90
    127.00   1.419    110
    125.56   1.402    116
    124.44   1.390    169
    123.50   1.379    145
    122.69   1.370    157
    120.94   1.351    143
    120.06   1.341    151
    119.44   1.334    168
    118.81   1.327    163
    117.06   1.308    113
    116.13   1.297    110
    114.25   1.276     82
    113.75   1.271     77
    112.19   1.253     77
    110.94   1.239     53
    109.94   1.228     49
    108.94   1.217     59
    107.88   1.205     69
    104.38   1.166     48
    103.50   1.156     49
    102.38   1.144     38
    101.25   1.131     56
     99.00   1.106     31
     97.94   1.094     32
     95.94   1.072     57
     94.25   1.053   1000
     87.63   0.979    851
     85.63   0.957    165
     82.69   0.924    384
     80.69   0.901    126
     78.00   0.871     63
     76.94   0.860    100
     75.38   0.842     60
     74.00   0.827     39
     73.00   0.816     36

in CDCl3

CCl4 solution

liquid film

4880 A,200 M,liquid

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