肉桂酸烯丙酯(1866-31-5)紅外圖譜(IR2)

產(chǎn)品名稱:肉桂酸烯丙酯

CAS:1866-31-5

分子式:C12H12O2

分子量: 188.22

InChI:InChI=1S/C12H12O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2-9H,1,10H2

InChIKey: KCMITHMNVLRGJU-UHFFFAOYSA-N

Smiles:C(OCC=C)(=O)C=CC1=CC=CC=C1

Mass

MS-NW-8878          
allyl trans-cinnamate
C12H12O2            (Mass of molecular ion:    188)

   Source Temperature: 280 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      18.0       2.9
      27.0       2.7
      28.0       1.5
      29.0       2.3
      31.0       1.5
      39.0       7.9
      40.0       1.1
      41.0       9.7
      50.0       2.8
      51.0      11.2
      52.0       1.8
      55.0       1.2
      57.0       6.2
      58.0       1.2
      63.0       1.8
      69.0       3.6
      74.0       1.2
      75.0       1.8
      76.0       3.2
      77.0      32.3
      78.0       3.7
      91.0       5.6
      97.0       2.3
     102.0       7.6
     103.0      52.9
     104.0      34.3
     105.0       8.1
     106.0       4.0
     107.0       1.4
     115.0       1.2
     116.0       1.6
     128.0       7.1
     129.0       7.4
     130.0       1.3
     131.0     100.0
     132.0      11.8
     133.0       1.8
     141.0       1.2
     142.0       4.5
     143.0      19.6
     144.0       2.9
     147.0       6.0
     148.0       1.5
     170.0       1.1
     173.0       4.2
     188.0      12.0
     189.0       1.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₂ H₁₂ O₂	0.04 ml : 0.5 ml CDCl₃
allyl trans-cinnamate

    Assign.     Shift(ppm)

      A             7.704
      B             7.53
      C             7.45
      D             7.37
      E             6.471
      F             5.97
      G             5.39
      J             5.28
      K             4.715

     Hz     ppm     Int.

    700.31   7.820     32
    697.75   7.791    424
    681.69   7.612    565
    678.19   7.573     69
    677.63   7.567     68
    675.88   7.547    161
    672.31   7.507    234
    668.69   7.467    338
    667.00   7.448    349
    665.75   7.434    570
    662.38   7.396    452
    659.13   7.360   1000
    656.06   7.326    629
    652.50   7.286    512
    649.19   7.249    204
    644.31   7.195     33
    644.00   7.191     31
    584.31   6.525    785
    580.63   6.484     34
    568.31   6.346    595
    555.94   6.208     52
    550.31   6.145    103
    545.81   6.095     72
    544.81   6.084     67
    540.25   6.033    133
    538.75   6.016     95
    534.81   5.972     82
    533.13   5.953    177
    528.63   5.903    127
    527.63   5.892    124
    523.06   5.841    226
    517.69   5.781    143
    489.19   5.463    100
    487.56   5.444    266
    486.00   5.427    364
    484.56   5.411    180
    476.13   5.317    145
    474.94   5.304    290
    473.25   5.285    256
    472.06   5.271    198
    470.50   5.254    207
    468.88   5.236    216
    467.38   5.219    121
    466.19   5.206    120
    464.88   5.191    212
    463.19   5.172    228
    462.00   5.159    135
    424.13   4.736    388
    422.88   4.722    670
    421.63   4.708    430
    418.69   4.675    392
    417.38   4.661    659
    416.06   4.646    405
    409.56   4.574     33
    408.81   4.565     32

in CDCl3