Chloroacetyl chloride(79-04-9) 13C NMR
Product NameChloroacetyl chloride
CAS79-04-9
Molecular FormulaC2H2Cl2O
Molecular Weight112.94
InChIInChI=1S/C2H2Cl2O/c3-1-2(4)5/h1H2
InChIKey VGCXGMAHQTYDJK-UHFFFAOYSA-N
SmilesC(Cl)(CCl)=O
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MassMS-IW-3415 chloroacetyl chloride C2H2Cl2O (Mass of molecular ion: 112)
Source Temperature: 200 °C Sample Temperature: 160 °C Reservoir, 75 eV
13.0 1.4 14.0 2.5 28.0 1.7 29.0 1.1 35.0 3.9 36.0 2.4 37.0 1.3 41.0 2.8 42.0 12.3 47.0 4.2 48.0 4.7 49.0 45.4 50.0 2.3 51.0 14.5 63.0 28.3 65.0 9.5 76.0 1.5 77.0 100.0 78.0 2.9 79.0 35.9 84.0 2.0 86.0 1.2
parameter in CDCl3
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1H NMR 300 MHz C2 H2 Cl2 O 0.02 ml : 0.5 ml CDCl3 chloroacetyl chloride 
Parameter ppm Hz
D(A) 4.516
Hz ppm Int.1354.80 4.516 1000
in CDCl3
CCl4 solution
KBr disc
liquid film
nujol mull
