調果酸(101-10-0)核磁圖(¹HNMR)

產品名稱:調果酸

CAS:101-10-0

分子式:C9H9ClO3

分子量: 200.62

InChI:InChI=1S/C9H9ClO3/c1-6(9(11)12)13-8-4-2-3-7(10)5-8/h2-6H,1H3,(H,11,12)

InChIKey: YNTJKQDWYXUTLZ-UHFFFAOYSA-N

Smiles:C(O)(=O)C(OC1=CC=CC(Cl)=C1)C

Mass

MS-NW-8205          
2-(m-chlorophenoxy)propionic acid
C9H9ClO3            (Mass of molecular ion:    200)

   Source Temperature: 150 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      26.0       1.8
      27.0       6.9
      28.0       2.4
      29.0       3.4
      37.0       1.0
      38.0       3.7
      39.0       5.9
      43.0       4.7
      45.0       9.0
      50.0       6.2
      51.0       3.8
      53.0       1.4
      55.0       4.3
      61.0       1.7
      62.0       3.1
      63.0      11.8
      64.0       9.0
      65.0      12.8
      66.0       1.4
      73.0       6.9
      74.0       3.7
      75.0      22.1
      76.0       5.0
      77.0       2.2
      77.5       1.2
      85.0       2.3
      91.0      18.2
      92.0       6.4
      93.0       3.1
      99.0       8.1
     100.0       6.6
     101.0       3.1
     102.0       2.4
     111.0      23.4
     112.0       2.8
     113.0       7.8
     119.0       3.3
     120.0       4.6
     125.0       1.1
     127.0       6.5
     128.0      84.9
     129.0       8.2
     130.0      27.3
     131.0       2.0
     155.0     100.0
     156.0       8.9
     157.0      32.2
     158.0       2.9
     200.0      54.4
     201.0       5.7
     202.0      17.9
     203.0       1.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₉ Cl O₃	0.032 g : 0.5 ml CDCl₃
2-(m-chlorophenoxy)propionic acid

    Assign.     Shift(ppm)

      A            10.9
      B             7.200
      C             6.980
      D             6.904
      E             6.773
      F             4.776
      G             1.662

     Hz     ppm     Int.

   2885.97   7.222    193
   2877.73   7.201    393
   2869.67   7.181    252
   2793.84   6.991    177
   2793.11   6.989    188
   2792.01   6.987    196
   2791.46   6.985    185
   2785.78   6.971    152
   2785.23   6.970    157
   2783.95   6.966    172
   2761.05   6.909    244
   2758.85   6.904    366
   2756.84   6.899    226
   2712.15   6.787    169
   2711.78   6.786    168
   2709.77   6.781    158
   2703.90   6.766    155
   2701.34   6.760    144
   1919.40   4.803     72
   1912.44   4.786    228
   1905.66   4.769    232
   1898.70   4.751     74
    667.28   1.670   1000
    660.32   1.653    994

KBr disc