1,1,1,2-TETRACHLOROPROPANE(812-03-3) IR1
Product Name1,1,1,2-TETRACHLOROPROPANE
CAS812-03-3
Molecular FormulaC3H4Cl4
Molecular Weight181.88
InChIInChI=1S/C3H4Cl4/c1-2(4)3(5,6)7/h2H,1H3
InChIKey FEKGWIHDBVDVSM-UHFFFAOYSA-N
SmilesC(Cl)(Cl)(Cl)C(Cl)C
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MassMS-NW-4906 1,1,1,2-tetrachloropropane C3H4Cl4 (Mass of molecular ion: 180)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 3.0 18.0 1.4 25.0 2.4 26.0 7.2 27.0 45.7 28.0 1.6 35.0 10.0 36.0 9.6 37.0 14.6 38.0 15.6 39.0 46.3 40.0 1.9 44.0 1.4 47.0 11.0 48.0 2.8 49.0 18.9 50.0 1.0 51.0 5.5 60.0 5.3 61.0 4.7 62.0 4.2 63.0 100.0 64.0 3.0 65.0 30.1 71.0 1.3 72.0 4.7 73.0 17.5 74.0 3.2 75.0 30.1 76.0 1.5 77.0 8.8 82.0 6.8 83.0 21.4 84.0 4.9 85.0 13.3 87.0 2.3 94.0 1.1 95.0 2.6 96.0 1.0 97.0 5.3 99.0 2.4 107.0 1.5 109.0 49.1 110.0 7.8 111.0 32.1 112.0 4.7 113.0 5.7 117.0 9.7 119.0 9.2 121.0 3.1 129.0 1.0 130.0 4.2 131.0 1.0 132.0 4.1 134.0 1.3 143.0 1.8 145.0 49.5 146.0 2.4 147.0 43.5 148.0 1.8 149.0 14.8 151.0 1.7 181.0 1.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C3 H4 Cl4 0.02 ml : 0.5 ml CDCl3 1,1,1,2-tetrachloropropane 
Assign. Shift(ppm)
A 1.853 B 4.593
Hz ppm Int.421.25 4.704 76 414.75 4.631 221 408.31 4.560 223 401.94 4.488 87 169.06 1.888 1000 162.56 1.816 940
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
