反式肉桂酸乙酯(4192-77-2)紅外圖譜(IR2)

產(chǎn)品名稱:反式肉桂酸乙酯

CAS:4192-77-2

分子式:C11H12O2

分子量: 176.21

InChI:InChI=1S/C11H12O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+

InChIKey: KBEBGUQPQBELIU-CMDGGOBGSA-N

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

Mass

MS-NW-0442          
ethyl trans-cinnamate
C11H12O2            (Mass of molecular ion:    176)

   Source Temperature: 260 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      17.0       3.8
      18.0      17.0
      26.0       1.4
      27.0       5.3
      28.0      17.5
      29.0       5.8
      31.0       1.7
      32.0       2.4
      39.0       2.5
      41.0       1.2
      43.0       1.9
      44.0      12.4
      45.0       1.7
      50.0       5.1
      51.0      14.3
      51.5       1.6
      52.0       2.4
      53.0       1.0
      62.0       1.3
      63.0       2.9
      65.0       1.1
      69.0       1.5
      74.0       2.4
      75.0       2.9
      76.0       4.0
      77.0      30.0
      78.0       4.1
      91.0       4.0
     101.0       1.5
     102.0      11.6
     103.0      44.4
     104.0      15.2
     105.0       3.6
     106.0       1.1
     107.0       1.0
     115.0       1.0
     117.0       1.2
     120.0       1.4
     130.0       3.8
     131.0     100.0
     132.0      12.3
     133.0       1.7
     147.0      11.5
     148.0      13.6
     149.0       1.5
     158.0       2.3
     161.0       1.2
     175.0       3.7
     176.0      35.8
     177.0       4.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₁ H₁₂ O₂	10.7 mol% in CDCl₃
ethyl trans-cinnamate

    Assign.     Shift(ppm)

      A             1.317
      B             4.244
      C             6.43
      D             7.67
      E          7.24 to 7.57
     
     J(C,D)=15.8HZ

     Hz     ppm     Int.

    695.69   7.768    170
    679.69   7.590    232
    676.44   7.553     62
    674.63   7.533     55
    674.25   7.529     57
    673.44   7.520     82
    672.81   7.513     84
    671.63   7.500     75
    670.88   7.491     81
    669.38   7.475    118
    668.69   7.467     97
    667.56   7.454    119
    666.38   7.441    220
    665.06   7.426    106
    663.06   7.404    145
    661.38   7.385    143
    659.63   7.366    349
    658.50   7.353    170
    656.94   7.336    211
    656.31   7.329    210
    654.81   7.312    112
    653.94   7.302     45
    652.94   7.291    228
    651.31   7.273     35
    582.38   6.503    431
    566.38   6.325    326
    391.06   4.367    113
    383.81   4.286    408
    376.69   4.207    426
    369.69   4.128    135
    124.69   1.393    450
    117.63   1.314   1000
    110.44   1.234    389

in CDCl3