2,3-Dichloropropionic acid(565-64-0) IR1
Product Name2,3-Dichloropropionic acid
CAS565-64-0
Molecular FormulaC3H4Cl2O2
Molecular Weight142.97
InChIInChI=1S/C3H4Cl2O2/c4-1-2(5)3(6)7/h2H,1H2,(H,6,7)
InChIKey GKFWNPPZHDYVLI-UHFFFAOYSA-N
SmilesC(O)(=O)C(Cl)CCl
-
MassMS-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
KBr disc
nujol mull
