反-4-甲氧基丙烯酸酯(24680-50-0)核磁圖(¹HNMR)

產(chǎn)品名稱(chēng):反-4-甲氧基丙烯酸酯

CAS:24680-50-0

分子式:C10H10O2

分子量: 162.19

InChI:InChI=1S/C10H10O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h2-8H,1H3/b3-2+

InChIKey: AXCXHFKZHDEKTP-NSCUHMNNSA-N

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

Mass

MS-IW-2676          
trans-4-methoxycinnamaldehyde
C10H10O2            (Mass of molecular ion:    162)

   Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      27.0       1.8
      29.0       1.8
      31.0       1.0
      38.0       2.4
      39.0       8.9
      41.0       1.7
      50.0       6.0
      51.0      10.0
      52.0       1.9
      53.0       2.1
      55.0       1.3
      61.0       1.7
      62.0       5.3
      63.0      14.8
      64.0       7.3
      65.0      16.5
      66.0       1.6
      67.0       1.8
      74.0       3.6
      75.0       4.0
      76.0       3.7
      77.0      16.1
      78.0       8.2
      79.0       4.8
      89.0      15.0
      90.0      11.6
      91.0      26.3
      92.0       6.7
      93.0       2.6
     101.0       1.9
     102.0       6.3
     103.0      14.7
     104.0       4.9
     105.0       2.6
     107.0       1.1
     108.0      23.8
     109.0       2.0
     117.0       2.1
     118.0      12.2
     119.0      25.9
     120.0       2.5
     121.0      10.1
     131.0      48.8
     132.0       6.5
     133.0      24.5
     134.0      22.9
     135.0       6.1
     136.0       1.2
     146.0       2.4
     147.0      12.5
     148.0       1.3
     161.0      60.1
     162.0     100.0
     163.0      11.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₁₀ O₂	0.031 g : 0.5 ml CDCl₃
trans-4-methoxycinnamaldehyde

    Assign.     Shift(ppm)

      A             9.651
      B             7.523
      C             7.422
      D             6.947
      E             6.610
      F             3.857
     
     J(A,E)=8.0HZ
     J(C,E)=15.7HZ

     Hz     ppm     Int.

   3861.08   9.662    180
   3853.30   9.642    186
   3011.32   7.535    180
   3009.49   7.531     62
   3004.76   7.519     63
   3002.62   7.514    201
   2974.70   7.444    101
   2958.98   7.404    111
   2780.91   6.959    214
   2778.78   6.954     68
   2774.05   6.942     64
   2772.06   6.937    197
   2653.20   6.639    106
   2645.42   6.620    106
   2637.33   6.600     97
   2629.70   6.581     91
   1541.75   3.858   1000

in CDCl3