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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
MS
1HNMR
13CNMR
IR1
IR2
Raman
Mass
MS-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
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
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1,1,1,2-TETRACHLOROPROPANE(812-03-3) Raman Atlas of Related Products