Ethyl chloroacetate(105-39-5) IR2
Product NameEthyl chloroacetate
CAS105-39-5
Molecular FormulaC4H7ClO2
Molecular Weight122.55
InChIInChI=1S/C4H7ClO2/c1-2-7-4(6)3-5/h2-3H2,1H3
InChIKey VEUUMBGHMNQHGO-UHFFFAOYSA-N
SmilesC(OCC)(=O)CCl
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MassMS-NW-2176 ethyl chloroacetate C4H7ClO2 (Mass of molecular ion: 122)
Source Temperature: 270 °C Sample Temperature: 170 °C Reservoir, 75 eV
14.0 2.2 15.0 2.4 26.0 2.1 27.0 18.5 28.0 20.6 29.0 100.0 30.0 2.2 31.0 1.8 42.0 8.1 43.0 3.2 45.0 4.4 48.0 1.0 49.0 12.7 51.0 4.2 73.0 1.5 77.0 26.9 79.0 8.8 94.0 3.2 95.0 1.6 96.0 1.1 107.0 1.7
parameter neat
parameter in CDCl3
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1H NMR 300 MHz C4 H7 Cl O2 neat ethyl chloroacetate 
Parameter ppm Hz
D(A) 1.266 D(B) 4.194 J(A,B) 7.09 D(C) 4.067 RATTET,L.S. & GOLDSTEIN,J.H. J.PHYS.CHEM. 73, 4400 (1969)
Hz ppm Int.1268.88 4.230 122 1261.79 4.206 368 1254.72 4.182 375 1247.62 4.159 128 1220.10 4.067 1000 386.86 1.290 379 379.79 1.266 748 372.69 1.242 365
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1H NMR 300 MHz C4 H7 Cl O2 10.8 mol% in CDCl3 ethyl chloroacetate Parameter ppm Hz
D(A) 1.310 D(B) 4.252 J(A,B) 7.15 D(C) 4.062
Hz ppm Int.1286.39 4.288 122 1279.24 4.264 369 1272.09 4.240 375 1264.94 4.216 128 1218.60 4.062 1000 400.12 1.334 379 393.00 1.310 748 385.85 1.286 367
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
