Chloroacetic acid(79-11-8) 13C NMR
Product NameChloroacetic acid
CAS79-11-8
Molecular FormulaC2H3ClO2
Molecular Weight94.5
InChIInChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)
InChIKey FOCAUTSVDIKZOP-UHFFFAOYSA-N
SmilesC(O)(=O)CCl
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MassMS-NW-6818 chloroacetic acid C2H3ClO2 (Mass of molecular ion: 94)
Source Temperature: 260 °C Sample Temperature: 200 °C Reservoir, 75 eV
13.0 2.0 14.0 4.7 15.0 2.5 17.0 5.5 18.0 22.6 28.0 4.2 29.0 5.6 31.0 5.6 35.0 1.9 36.0 3.3 38.0 1.2 41.0 2.0 42.0 6.6 44.0 3.0 45.0 28.8 47.0 2.8 48.0 5.2 49.0 35.2 50.0 100.0 51.0 12.1 52.0 31.2 77.0 3.2 79.0 1.1 94.0 5.8 96.0 1.9 108.0 1.0
parameter in CDCl3
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1H NMR 300 MHz C2 H3 Cl O2 0.038 g : 0.5 ml CDCl3 chloroacetic acid 
Parameter ppm Hz
D(A) 11.26 D(B) 4.147
Hz ppm Int.3377.98 11.260 227 1244.10 4.147 1000
in CDCl3
KBr disc
4880 A,200 M,powder
