118-60-5

水楊酸-2-乙基己基酯(118-60-5)核磁圖(¹HNMR)

產(chǎn)品名稱:水楊酸-2-乙基己基酯

CAS:118-60-5

分子式:C15H22O3

分子量: 250.33

InChI:InChI=1S/C15H22O3/c1-3-5-8-12(4-2)11-18-15(17)13-9-6-7-10-14(13)16/h6-7,9-10,12,16H,3-5,8,11H2,1-2H3

InChIKey: FMRHJJZUHUTGKE-UHFFFAOYSA-N

Smiles:C(OCC(CC)CCCC)(=O)C1=CC=CC=C1O

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-4193          
2-ethylhexyl salicylate
C15H22O3            (Mass of molecular ion:    250)

   Source Temperature: 230 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       1.8
      29.0       5.9
      39.0       3.9
      41.0      14.0
      42.0       3.0
      43.0      24.9
      53.0       1.0
      55.0      13.9
      56.0       7.2
      57.0      34.6
      58.0       1.5
      64.0       1.3
      65.0       6.9
      69.0       6.7
      70.0      30.5
      71.0      24.1
      72.0       1.4
      82.0       2.0
      83.0      18.9
      84.0       7.5
      92.0       6.0
      93.0       6.6
      97.0       1.0
     112.0      22.5
     113.0       2.7
     120.0     100.0
     121.0      38.7
     122.0       3.3
     138.0      85.7
     139.0      14.6
     140.0       1.3
     250.0      11.7
     251.0       2.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₅ H₂₂ O₃	0.05 ml : 0.5 ml CDCl₃
2-ethylhexyl salicylate

    Assign.     Shift(ppm)

      A            10.88
      B             7.824
      C             7.428
      D             6.970
      E             6.864
      F     *1      4.271
      G     *1      4.250
      J             1.720
      K             1.453
      L             1.383
      M             1.33
      N             0.947
      P             0.907

     Hz     ppm     Int.

   4348.74  10.882    742
   3132.15   7.838    193
   3131.78   7.837    197
   3130.50   7.834    197
   3124.27   7.818    203
   3123.90   7.817    208
   3122.44   7.813    207
   3122.07   7.813    200
   2977.55   7.451     96
   2975.72   7.446     93
   2970.04   7.432    124
   2968.76   7.429    178
   2967.48   7.426    122
   2961.99   7.412    114
   2961.62   7.411    115
   2960.15   7.407    109
   2790.36   6.983    217
   2789.99   6.982    235
   2789.26   6.980    242
   2781.93   6.961    204
   2781.57   6.961    223
   2780.83   6.959    223
   2751.53   6.885    158
   2750.24   6.882    147
   2744.20   6.867    187
   2743.47   6.865    230
   2743.10   6.864    219
   2742.37   6.862    180
   2736.32   6.847    149
   2735.23   6.845    132
   1718.65   4.301     63
   1712.97   4.287     67
   1707.66   4.273    331
   1703.81   4.264    359
   1702.17   4.260    354
   1697.95   4.249    328
   1692.82   4.236     65
   1687.15   4.222     65
    700.43   1.753     35
    694.38   1.738     84
    688.34   1.723    118
    682.11   1.707     98
    676.07   1.692     47
    597.31   1.495     53
    595.84   1.491     54
    589.61   1.476    174
    588.51   1.473    149
    583.20   1.460    168
    581.92   1.457    262
    575.69   1.441    160
    574.59   1.438    197
    571.48   1.430     41
    568.00   1.422    106
    567.27   1.420    103
    561.22   1.405    133
    558.11   1.397    117
    554.81   1.389    171
    551.51   1.380    115
    548.40   1.373    112
    546.75   1.369    103
    543.64   1.361     79
    538.88   1.349    195
    536.86   1.344    189
    534.85   1.339    262
    533.01   1.334    266
    531.92   1.331    308
    529.17   1.325    241
    527.89   1.321    269
    526.60   1.318    218
    524.96   1.314    197
    523.67   1.311    193
    520.56   1.303     93
    386.30   0.967    521
    378.79   0.948   1000
    371.28   0.930    510
    369.81   0.926    254
    367.07   0.919    163
    362.67   0.908    573
    357.17   0.894    138
    355.34   0.890    190

in CDCl3