Trichloroethylene(79-01-6) MS
Product NameTrichloroethylene
CAS79-01-6
Molecular FormulaC2HCl3
Molecular Weight131.39
InChIInChI=1S/C2HCl3/c3-1-2(4)5/h1H
InChIKey XSTXAVWGXDQKEL-UHFFFAOYSA-N
SmilesC(/Cl)(\Cl)=C/Cl
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MassMS2015-05273CW trichloroethylene C2HCl3 (Mass of molecular ion: 130)
Source Temperature: 250 °C Sample Temperature: 250 °C Reservoir, 70 eV
25.0 2.5 28.0 7.6 35.0 1.9 47.0 3.4 48.0 1.0 49.0 1.1 59.0 2.8 60.0 18.1 61.0 1.3 62.0 5.9 65.0 1.4 66.0 1.3 94.0 5.6 95.0 78.5 96.0 5.2 97.0 50.2 98.0 1.6 99.0 8.0 130.0 100.0 131.0 2.4 132.0 96.3 133.0 2.1 134.0 30.2 136.0 3.2
parameter in TMS
in CDCl3
parameter in CDCl3
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1H NMR 300 MHz C2 H Cl3 5 % in TMS trichloroethylene 
Parameter ppm Hz
D(A) 6.323 WHIPPLE,E.B. ET AL. J.CHEM.PHYS. 34, 2136 (1961)
Hz ppm Int.1896.90 6.323 1000
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1H NMR 300 MHz C2 H Cl3 0.04 ml : 0.5 ml CDCl3 trichloroethylene Parameter ppm Hz
D(A) 6.458
Hz ppm Int.1937.40 6.458 1000
in CDCl3
CCl4 solution
Liquid film
4880 A,150M,liquid
