1,2,2,3-TETRACHLOROPROPANE(13116-53-5) 1H NMR
Product Name1,2,2,3-TETRACHLOROPROPANE
CAS13116-53-5
Molecular FormulaC3H4Cl4
Molecular Weight181.88
InChIInChI=1S/C3H4Cl4/c4-1-3(6,7)2-5/h1-2H2
InChIKey UDPHJTAYHSSOQB-UHFFFAOYSA-N
SmilesC(Cl)C(Cl)(Cl)CCl
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MassMS-NW-0957 1,2,2,3-tetrachloropropane C3H4Cl4 (Mass of molecular ion: 180)
Source Temperature: 280 °C Sample Temperature: 150 °C Reservoir, 75 eV
25.0 1.5 26.0 4.6 27.0 1.3 35.0 3.7 36.0 6.3 37.0 10.4 38.0 13.7 39.0 28.6 40.0 2.8 47.0 5.0 48.0 3.1 49.0 47.7 50.0 1.5 51.0 15.0 60.0 4.7 61.0 11.8 62.0 2.0 63.0 3.9 72.0 1.9 73.0 11.0 74.0 1.4 75.0 12.6 77.0 3.4 83.0 32.8 85.0 20.3 87.0 3.4 95.0 31.0 96.0 17.7 97.0 19.8 98.0 10.9 99.0 3.5 100.0 1.6 109.0 35.7 110.0 2.1 111.0 22.8 112.0 1.4 113.0 3.7 130.0 24.4 131.0 100.0 132.0 25.1 133.0 92.7 134.0 9.3 135.0 29.1 136.0 1.4 137.0 3.2 144.0 15.4 145.0 35.6 146.0 15.8 147.0 32.3 148.0 6.0 149.0 10.6 151.0 1.1
parameter in CCl4
parameter in CDCl3
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1H NMR 300 MHz C3 H4 Cl4 10 vol% in CCl4 1,2,2,3-tetrachloropropane 
Parameter ppm Hz
D(A) 4.17 WHITE,H.F. ANAL.CHEM. 36, 1291 (1964)
Hz ppm Int.1251.00 4.170 1000
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1H NMR 300 MHz C3 H4 Cl4 0.02 ml : 0.5 ml CDCl3 1,2,2,3-tetrachloropropane Parameter ppm Hz
D(A) 4.129
Hz ppm Int.1238.70 4.129 1000
in CDCl3
liquid film
4880 A,200 M,liquid
