2-Chloroethyl chloroformate(627-11-2) 1H NMR
Product Name2-Chloroethyl chloroformate
CAS627-11-2
Molecular FormulaC3H4Cl2O2
Molecular Weight142.97
InChIInChI=1S/C3H4Cl2O2/c4-1-2-7-3(5)6/h1-2H2
InChIKey SVDDJQGVOFZBNX-UHFFFAOYSA-N
SmilesC(Cl)(OCCCl)=O
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MassMS-NW-7376 2-chloroethyl chloroformate C3H4Cl2O2 (Mass of molecular ion: 142)
Source Temperature: 220 °C Sample Temperature: 190 °C Reservoir, 75 eV
26.0 4.6 27.0 39.1 28.0 2.6 29.0 5.1 30.0 3.1 31.0 2.7 35.0 3.4 36.0 1.6 37.0 1.2 42.0 1.2 43.0 1.6 44.0 4.7 45.0 1.0 47.0 1.1 48.0 1.3 49.0 8.5 50.0 1.9 51.0 3.2 61.0 2.3 62.0 93.9 63.0 100.0 64.0 31.8 65.0 33.0 77.0 4.0 79.0 1.7 81.0 1.1 93.0 53.7 94.0 1.4 95.0 17.5 107.0 1.6
parameter in CDCl3
parameter neat
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1H NMR 300 MHz C3 H4 Cl2 O2 0.05 ml : 0.5 ml CDCl3 2-chloroethyl chloroformate 
Parameter ppm Hz
D(A) 4.552 D(B) 3.760 J(A,B) 5.62
Hz ppm Int.1371.29 4.571 477 1365.67 4.552 1000 1360.06 4.534 526 1133.55 3.778 526 1127.94 3.760 998 1122.32 3.741 479
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1H NMR 300 MHz C3 H4 Cl2 O2 neat 2-chloroethyl chloroformate Parameter ppm Hz
D(A) 3.77 D(B) 4.53 J(A,A') -11.80 J(A,B) 6.62 J(A,B') 4.04 J(A',B) 4.04 J(A',B') 6.62 J(B,B') -12.38 HIRST,R.C. & GRANT,D.M. J.CHEM.PHYS. 40, 1909 (1964) J(A,A') AND J(B,B') ARE EXCHANGEABLE.
Hz ppm Int.1364.40 4.548 886 1359.99 4.533 500 1359.13 4.530 997 1357.98 4.527 459 1353.75 4.512 975 1136.26 3.788 975 1132.03 3.773 459 1130.88 3.770 1000 1130.00 3.767 499 1125.61 3.752 886
in CDCl3
liquid film
4880 A,200 M,liquid
