順式-3-己烯醇苯乙酸酯(42436-07-7)核磁圖(¹³CNMR)

產(chǎn)品名稱(chēng):順式-3-己烯醇苯乙酸酯

CAS:42436-07-7

分子式:C14H18O2

分子量: 218.29

InChI:InChI=1S/C14H18O2/c1-2-3-4-8-11-16-14(15)12-13-9-6-5-7-10-13/h3-7,9-10H,2,8,11-12H2,1H3/b4-3-

InChIKey: FJKFIIYSBXHBCT-ARJAWSKDSA-N

Smiles:C1(CC(OCC/C=C\CC)=O)=CC=CC=C1

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-9472          
cis-3-hexenyl phenylacetate
C14H18O2            (Mass of molecular ion:    218)

   Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       2.0
      29.0       2.3
      39.0       5.1
      41.0      11.9
      43.0       1.2
      51.0       1.3
      53.0       1.8
      54.0       2.6
      55.0      12.4
      63.0       1.4
      65.0       8.4
      67.0      46.5
      68.0       2.8
      69.0       1.7
      81.0       3.4
      82.0     100.0
      83.0       7.3
      89.0       2.1
      90.0       1.8
      91.0      72.6
      92.0       6.9
     119.0       4.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₄ H₁₈ O₂	0.05 ml : 0.5 ml CDCl₃
cis-3-hexenyl phenylacetate

    Assign.     Shift(ppm)

      A             7.29
      B             7.26
      C             7.23
      D             5.475
      E             5.273
      F             4.072
      G             3.588
      J             2.348
      K             2.016
      L             0.945

     Hz     ppm     Int.

   2915.89   7.297    240
   2914.55   7.293    218
   2909.18   7.280    385
   2908.33   7.278    380
   2906.74   7.274    252
   2906.25   7.272    249
   2904.42   7.268    477
   2898.07   7.252    235
   2897.34   7.250    190
   2889.89   7.232    162
   2201.66   5.509     36
   2195.92   5.495     38
   2194.34   5.491     72
   2192.63   5.487     53
   2190.92   5.483     50
   2189.09   5.478     35
   2187.13   5.473     42
   2185.18   5.468     62
   2183.59   5.464     96
   2182.13   5.461     53
   2176.39   5.446     50
   2119.51   5.304     46
   2113.65   5.289     49
   2112.18   5.286     94
   2110.47   5.281     63
   2108.64   5.277     41
   2106.57   5.272     35
   2104.86   5.267     50
   2103.03   5.263     58
   2101.32   5.258     75
   2099.73   5.254     42
   2093.99   5.240     37
   1634.52   4.090    297
   1627.56   4.073    598
   1620.61   4.056    312
   1434.08   3.589    853
    949.83   2.377     62
    949.10   2.375     62
    948.36   2.373     65
    942.87   2.360    163
    942.14   2.358    171
    941.41   2.356    183
    935.67   2.342    174
    934.81   2.340    172
    934.08   2.338    178
    928.71   2.324     66
    927.98   2.322     63
    927.12   2.320     66
    820.19   2.053     33
    814.09   2.038    116
    813.35   2.036    110
    812.62   2.034    120
    806.64   2.019    171
    805.91   2.017    167
    805.18   2.015    181
    799.32   2.001    125
    798.58   1.999    119
    797.73   1.997    132
    791.87   1.982     36
    791.02   1.980     34
    790.28   1.978     37
    385.38   0.965    526
    377.81   0.946   1000
    370.24   0.927    527

in CDCl3