ETHYL DICHLOROACETATE(535-15-9) IR1
Product NameETHYL DICHLOROACETATE
CAS535-15-9
Molecular FormulaC4H6Cl2O2
Molecular Weight157
InChIInChI=1S/C4H6Cl2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3
InChIKey IWYBVQLPTCMVFO-UHFFFAOYSA-N
SmilesC(OCC)(=O)C(Cl)Cl
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MassMS-NW-6376 ethyl dichloroacetate C4H6Cl2O2 (Mass of molecular ion: 156)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 1.3 26.0 1.6 27.0 16.3 28.0 7.8 29.0 100.0 30.0 2.5 36.0 1.7 41.0 2.5 43.0 1.3 45.0 1.5 47.0 1.2 48.0 3.6 50.0 1.2 76.0 3.3 77.0 4.2 78.0 1.1 79.0 1.4 83.0 9.5 85.0 6.0 87.0 1.0 111.0 2.3 113.0 1.9
parameter in CDCl3
parameter neat
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1H NMR 300 MHz C4 H6 Cl2 O2 0.05 ml : 0.5 ml CDCl3 ethyl dichloroacetate 
Parameter ppm Hz
D(A) 5.963 D(B) 4.337 D(C) 1.359 J(B,C) 7.1
Hz ppm Int.1788.90 5.963 665 1311.80 4.373 162 1304.74 4.349 490 1297.64 4.325 498 1290.54 4.302 170 414.80 1.383 503 407.70 1.359 1000 400.59 1.335 488
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1H NMR 300 MHz C4 H6 Cl2 O2 neat ethyl dichloroacetate Parameter ppm Hz
D(A) 1.334 D(B) 4.316 J(A,B) 7.12 D(C) 6.065 RATTET,L.S. & GOLDSTEIN,J.H. J.PHYS.CHEM. 73, 4400(1969)
Hz ppm Int.1819.50 6.065 674 1305.51 4.352 164 1298.42 4.328 501 1291.30 4.304 507 1284.21 4.281 172 407.30 1.358 513 400.21 1.334 1000 393.08 1.310 494
in CDCl3
liquid film
4880 A,200 M,liquid
