Methyl chloroacetate(96-34-4) 13C NMR
Product NameMethyl chloroacetate
CAS96-34-4
Molecular FormulaC3H5ClO2
Molecular Weight108.52
InChIInChI=1S/C3H5ClO2/c1-6-3(5)2-4/h2H2,1H3
InChIKey QABLOFMHHSOFRJ-UHFFFAOYSA-N
SmilesC(OC)(=O)CCl
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MassMS-NW-2175 methyl chloroacetate C3H5ClO2 (Mass of molecular ion: 108)
Source Temperature: 280 °C Sample Temperature: 170 °C Reservoir, 75 eV
13.0 1.3 14.0 5.2 15.0 35.8 18.0 1.0 27.0 1.2 28.0 5.4 29.0 19.1 30.0 1.3 31.0 3.6 41.0 1.4 42.0 12.2 43.0 1.4 45.0 2.9 47.0 1.5 48.0 3.1 49.0 44.4 50.0 1.6 51.0 14.2 59.0 100.0 60.0 2.2 64.0 16.7 66.0 5.2 76.0 2.4 77.0 27.1 78.0 1.4 79.0 9.2 108.0 6.3 110.0 2.1
parameter in CDCl3
90 MHz in CDCl3
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1H NMR 300 MHz C3 H5 Cl O2 10.2 mol% in CDCl3 methyl chloroacetate 
Parameter ppm Hz
D(A) 4.083 D(B) 3.802
Hz ppm Int.1224.90 4.083 667 1140.60 3.802 1000
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1H NMR 89.56 MHz C3 H5 Cl O2 0.02 ml : 0.5 ml CDCl3 methyl chloroacetate Assign. Shift(ppm)
A 4.08 B 3.81
Hz ppm Int.365.56 4.082 584 340.94 3.807 1000 339.19 3.788 26
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
