對甲氧基肉桂酸異辛酯(83834-59-7)核磁圖(¹HNMR)

產(chǎn)品名稱:對甲氧基肉桂酸異辛酯

CAS:83834-59-7

分子式:C18H26O3

分子量: 290.4

InChI:InChI=1S/C18H26O3/c1-4-6-7-15(5-2)14-21-18(19)13-10-16-8-11-17(20-3)12-9-16/h8-13,15H,4-7,14H2,1-3H3/b13-10+

InChIKey: YBGZDTIWKVFICR-JLHYYAGUSA-N

Smiles:C(OCC(CC)CCCC)(=O)/C=C/C1=CC=C(OC)C=C1

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-4187          
2-ethylhexyl trans-4-methoxycinnamate
C18H26O3            (Mass of molecular ion:    290)

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

      18.0       1.1
      29.0       1.6
      41.0       3.2
      43.0       2.7
      55.0       3.4
      56.0       1.5
      57.0       2.7
      69.0       1.8
      70.0       3.5
      77.0       1.9
      79.0       1.1
      83.0       1.5
      89.0       1.1
      90.0       1.6
     103.0       1.3
     118.0       2.4
     121.0       6.3
     132.0       1.8
     133.0       9.0
     134.0       9.3
     135.0       1.5
     147.0       1.1
     161.0      40.3
     162.0       4.8
     163.0       1.0
     177.0       4.5
     178.0     100.0
     179.0      13.5
     180.0       2.1
     290.0       8.7
     291.0       1.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₈ H₂₆ O₃	0.05 ml : 0.5 ml CDCl₃
2-ethylhexyl trans-4-methoxycinnamate

    Assign.     Shift(ppm)

      A             7.634
      B             7.468
      C             6.888
      D             6.318
      E     *1      4.12
      F     *1      4.11
      G             3.809
      J             1.642
      K             1.41
      L             1.35
      M             1.32
      N             0.93
      P             0.91
     
     J(A,D)=16.0 Hz
     J(E,F)=-11.0 Hz
     J(E,J)=5.7 Hz
     J(F,J)=6.0 Hz

     Hz     ppm     Int.

   3059.08   7.655    129
   3043.09   7.615    135
   2989.01   7.480    207
   2987.30   7.475     67
   2982.18   7.462     76
   2980.47   7.458    227
   2760.01   6.907     30
   2757.20   6.900    242
   2755.25   6.895     73
   2750.37   6.882     76
   2748.41   6.878    225
   2532.96   6.338    250
   2516.97   6.298    239
   1647.71   4.123    151
   1645.14   4.117    154
   1641.97   4.109    157
   1639.16   4.102    149
   1522.46   3.810   1000
    657.23   1.645     43
    651.25   1.630     37
    573.24   1.435     61
    570.92   1.429     31
    568.97   1.424     62
    566.89   1.419     63
    565.67   1.416     66
    562.38   1.408     71
    561.52   1.406     70
    559.33   1.400     60
    555.18   1.390     71
    551.88   1.381     33
    550.17   1.377     31
    547.85   1.371     49
    542.85   1.359     69
    541.38   1.355     60
    537.11   1.344    113
    531.49   1.330    141
    529.30   1.325    215
    524.78   1.314    163
    521.24   1.305     78
    518.92   1.299     65
    376.95   0.944    243
    369.51   0.925    534
    362.18   0.907    405
    355.22   0.889     97

in CDCl3