Hexachloro-1,3-butadiene(87-68-3) 1H NMR
Product NameHexachloro-1,3-butadiene
CAS87-68-3
Molecular FormulaC4Cl6
Molecular Weight260.76
InChIInChI=1S/C4Cl6/c5-1(3(7)8)2(6)4(9)10
InChIKey RWNKSTSCBHKHTB-UHFFFAOYSA-N
SmilesC(/Cl)(\Cl)=C(/Cl)\C(\Cl)=C(\Cl)/Cl
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MassMS-NW-0653 hexachloro-1,3-butadiene C4Cl6 (Mass of molecular ion: 258)
Source Temperature: 280 °C Sample Temperature: 170 °C Reservoir, 75 eV
12.0 1.2 18.0 2.0 35.0 3.6 36.0 3.2 37.0 1.1 47.0 11.8 48.0 2.7 49.0 3.8 59.0 1.6 71.0 6.5 73.0 2.0 82.0 3.0 83.0 12.7 84.0 2.1 85.0 4.2 94.0 8.1 95.0 4.2 96.0 5.3 106.0 5.5 108.0 3.7 117.0 2.4 118.0 24.1 119.0 3.0 120.0 16.0 121.0 1.2 122.0 2.6 129.0 1.8 130.0 1.7 131.0 2.2 141.0 24.5 143.0 23.3 145.0 7.5 153.0 12.3 155.0 12.3 157.0 4.0 164.0 1.0 166.0 1.4 188.0 31.2 189.0 1.4 190.0 40.0 191.0 1.7 192.0 19.2 194.0 4.2 223.0 62.4 224.0 2.8 225.0 100.0 226.0 4.5 227.0 63.4 228.0 2.8 229.0 20.6 231.0 3.4 258.0 20.4 260.0 38.4 261.0 1.8 262.0 30.5 263.0 1.3 264.0 13.4 266.0 3.2
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
