565-64-0

2,3-二氯丙酸(565-64-0)核磁圖(¹³CNMR)

產(chǎn)品名稱:2,3-二氯丙酸

CAS:565-64-0

分子式:C3H4Cl2O2

分子量: 142.97

InChI:InChI=1S/C3H4Cl2O2/c4-1-2(5)3(6)7/h2H,1H2,(H,6,7)

InChIKey: GKFWNPPZHDYVLI-UHFFFAOYSA-N

Smiles:C(O)(=O)C(Cl)CCl

Mass

MS-IW-1282          
2,3-dichloropropionic acid
C3H4Cl2O2           (Mass of molecular ion:    142)

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

      14.0       1.0
      15.0       1.7
      18.0       2.9
      24.0       1.1
      25.0       5.3
      26.0      29.3
      27.0      63.5
      28.0       8.7
      29.0       4.3
      35.0       3.8
      36.0      24.2
      37.0       1.6
      38.0       7.8
      42.0       2.7
      43.0       3.0
      44.0       8.6
      45.0      35.1
      46.0       1.1
      47.0       1.4
      48.0       2.0
      49.0      10.3
      50.0       2.3
      51.0       3.2
      52.0       1.2
      53.0       4.9
      54.0       1.2
      55.0      11.0
      60.0       4.9
      61.0      43.4
      62.0     100.0
      63.0      17.7
      64.0      36.8
      65.0       2.9
      71.0      18.0
      72.0       9.9
      76.0       4.6
      78.0       2.9
      89.0      11.9
      91.0       3.9
      96.0       1.1
      97.0       8.1
      99.0       5.2
     106.0      28.8
     107.0      56.7
     108.0      11.0
     109.0      18.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₃ H₄ Cl₂ O₂	0.038 g : 0.5 ml CDCl₃
2,3-dichloropropionic acid

    Assign.     Shift(ppm)

      A            10.7
      B             4.514
      C     *1      3.976
      D     *1      3.863
     
     J(B,C)=8.3HZ
     J(B,D)=5.1HZ
     J(C,D)=-11.2HZ

     Hz     ppm     Int.

   4273.09  10.693    181
   1811.15   4.532    756
   1806.02   4.520    849
   1802.72   4.511    860
   1797.60   4.498    851
   1600.14   4.004    624
   1591.90   3.984    584
   1588.97   3.976   1000
   1580.54   3.955    952
   1550.69   3.881    972
   1545.56   3.868    975
   1542.45   3.860     37
   1539.51   3.853    617
   1534.39   3.840    572

in CDCl3