1,1,3,3-TETRACHLOROPROPENE(18611-43-3) MS
Product Name1,1,3,3-TETRACHLOROPROPENE
CAS18611-43-3
Molecular FormulaC3H2Cl4
Molecular Weight179.86
InChIInChI=1S/C3H2Cl4/c4-2(5)1-3(6)7/h1-2H
InChIKey XPIGFCKQOOBTLK-UHFFFAOYSA-N
SmilesC(/Cl)(\Cl)=C\C(Cl)Cl
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MassMS-IW-8213 1,1,3,3-tetrachloropropene C3H2Cl4 (Mass of molecular ion: 178)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
25.0 1.0 26.0 1.8 28.0 1.0 35.0 2.3 36.0 2.8 37.0 6.1 38.0 2.9 47.0 3.6 48.0 1.6 49.0 2.4 53.0 2.6 54.0 3.0 55.0 1.3 60.0 2.3 61.0 1.7 71.0 3.3 72.0 5.5 73.0 10.0 74.0 2.4 75.0 3.4 82.0 2.3 83.0 31.3 84.0 1.9 85.0 19.9 87.0 3.2 107.0 6.6 108.0 1.3 109.0 4.4 117.0 1.1 119.0 1.0 142.0 1.0 143.0 100.0 144.0 4.2 145.0 96.9 146.0 3.5 147.0 31.3 148.0 1.3 149.0 3.4 178.0 7.6 180.0 10.0 182.0 4.7 184.0 1.4
parameter in CDCl3
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1H NMR 300 MHz C3 H2 Cl4 0.05 ml : 0.5 ml CDCl3 1,1,3,3-tetrachloropropene 
Parameter ppm Hz
D(A) 6.397 D(B) 6.327 J(A,B) 9.3 assigned by C-H COSY.
Hz ppm Int.1924.73 6.416 425 1915.44 6.385 1000 1901.77 6.339 1000 1892.47 6.308 425
in CDCl3
liquid film
