2,2-Dichloropropionic acid(75-99-0) MS
Product Name2,2-Dichloropropionic acid
CAS75-99-0
Molecular FormulaC3H4Cl2O2
Molecular Weight142.97
InChIInChI=1S/C3H4Cl2O2/c1-3(4,5)2(6)7/h1H3,(H,6,7)
InChIKey NDUPDOJHUQKPAG-UHFFFAOYSA-N
SmilesC(O)(=O)C(Cl)(Cl)C
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MassMS-NW-4939 2,2-dichloropropionic acid C3H4Cl2O2 (Mass of molecular ion: 142)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
12.0 1.0 13.0 1.3 14.0 3.4 15.0 10.3 18.0 1.3 25.0 4.4 26.0 21.1 27.0 67.6 28.0 11.6 29.0 3.7 35.0 5.4 36.0 24.9 37.0 1.8 38.0 8.0 41.0 1.3 42.0 4.5 43.0 23.0 44.0 4.0 45.0 25.4 47.0 2.2 48.0 3.8 49.0 3.1 50.0 1.6 53.0 2.8 55.0 1.3 60.0 3.3 61.0 31.6 62.0 100.0 63.0 16.3 64.0 31.9 65.0 2.8 71.0 2.7 72.0 1.0 79.0 5.6 81.0 1.8 83.0 1.9 84.0 2.0 85.0 1.2 86.0 1.2 89.0 5.6 90.0 1.4 91.0 2.0 96.0 3.2 97.0 60.3 98.0 7.7 99.0 39.3 100.0 4.1 101.0 6.7 106.0 3.8 107.0 21.4 108.0 1.9 109.0 7.1
parameter in CDCl3
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1H NMR 300 MHz C3 H4 Cl2 O2 0.02 ml : 0.5 ml CDCl3 2,2-dichloropropionic acid 
Parameter ppm Hz
D(A) 10.29 D(B) 2.334
Hz ppm Int.3086.97 10.290 333 700.22 2.334 1000
in CDCl3
liquid film
4880 A,200 M,liquid
