Dichloroacetic acid(79-43-6) 1H NMR
Product NameDichloroacetic acid
CAS79-43-6
Molecular FormulaC2H2Cl2O2
Molecular Weight128.94
InChIInChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)
InChIKey JXTHNDFMNIQAHM-UHFFFAOYSA-N
SmilesC(O)(=O)C(Cl)Cl
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MassMS-NW-0841 dichloroacetic acid C2H2Cl2O2 (Mass of molecular ion: 128)
Source Temperature: 280 °C Sample Temperature: 150 °C Reservoir, 75 eV
12.0 1.2 13.0 3.1 17.0 1.2 18.0 3.4 28.0 12.1 29.0 15.7 35.0 6.8 36.0 12.7 37.0 2.0 38.0 3.9 41.0 1.5 44.0 9.7 45.0 42.1 47.0 14.4 48.0 100.0 49.0 70.0 50.0 31.6 51.0 22.4 59.0 1.3 60.0 5.3 65.0 3.5 73.0 3.1 76.0 6.0 78.0 1.4 82.0 1.7 83.0 30.8 84.0 62.1 85.0 20.8 86.0 42.0 87.0 3.6 88.0 6.2 93.0 3.3 95.0 1.0
400 MHz in D2O
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1H NMR 399.65 MHz C2 H2 Cl2 O2 0.05 ml : 0.5 ml D2O dichloroacetic acid 
Assign. Shift(ppm)
A 6.259
Hz ppm Int.2501.59 6.260 1000
CCl4 solution
liquid film
