140-10-3

反式肉桂酸(140-10-3)核磁圖(¹³CNMR)

產(chǎn)品名稱:反式肉桂酸

CAS:140-10-3

分子式:C9H8O2

分子量: 148.16

InChI:InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+

InChIKey: WBYWAXJHAXSJNI-VOTSOKGWSA-N

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

Mass

MS-NW-1664          
cinnamic acid
C9H8O2              (Mass of molecular ion:    148)

   Source Temperature: 240 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      18.0       1.6
      27.0       3.4
      28.0       1.4
      37.0       1.1
      38.0       2.2
      39.0       5.6
      45.0       2.5
      46.0       1.4
      49.0       1.3
      50.0      11.4
      51.0      29.9
      51.5       3.9
      52.0       5.0
      53.0       1.4
      60.0       1.5
      61.0       1.2
      62.0       2.7
      63.0       6.1
      65.0       3.1
      65.5       2.3
      69.0       1.1
      73.0       1.4
      74.0       7.4
      75.0       5.5
      76.0       6.9
      77.0      39.0
      78.0       6.9
      79.0       2.8
      91.0      20.8
      92.0       4.0
      94.0       1.5
     101.0       1.8
     102.0      22.2
     103.0      51.7
     104.0       5.2
     105.0       2.2
     107.0       2.3
     119.0       4.0
     120.0       8.7
     130.0       5.4
     131.0      25.8
     132.0       2.7
     147.0      97.3
     148.0     100.0
     149.0      10.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₈ O₂	0.020 g : 0.5 ml CDCl₃
cinnamic acid

    Assign.     Shift(ppm)

      A            11.
      B             7.806
      C             7.557
      D             7.42
      E             7.40
      F             6.465
     
     D AND E WERE CONFIRMED BY LAOCN PROGRAM.
     J(B,F)=16.1HZ

     Hz     ppm     Int.

   3127.75   7.827    403
   3111.82   7.787    425
   3030.49   7.583     37
   3029.02   7.580     53
   3028.11   7.577     51
   3025.36   7.571    270
   3022.98   7.565    306
   3020.23   7.558    250
   3019.13   7.555    368
   3018.03   7.552    203
   3015.65   7.546    332
   3011.99   7.537     47
   3010.89   7.534     52
   2975.36   7.445     46
   2972.79   7.439     44
   2970.96   7.434     47
   2967.85   7.427    141
   2965.83   7.422    168
   2964.00   7.417   1000
   2961.44   7.411    767
   2959.42   7.406    324
   2958.32   7.403    405
   2957.41   7.401    502
   2955.21   7.395    118
   2954.29   7.393    110
   2953.01   7.389     86
   2950.08   7.382     41
   2948.80   7.379     34
   2947.52   7.376     35
   2591.44   6.485    692
   2575.32   6.444    670

in CDCl3