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Product NameHexachlorocyclopentadiene
CAS77-47-4
Molecular FormulaC5Cl6
Molecular Weight272.77
InChIInChI=1S/C5Cl6/c6-1-2(7)4(9)5(10,11)3(1)8
InChIKey VUNCWTMEJYMOOR-UHFFFAOYSA-N
SmilesC1(Cl)C(Cl)(Cl)C(Cl)=C(Cl)C=1Cl
MS
1HNMR
13CNMR
IR1
Raman
Mass
MS-NW-0880 hexachlorocyclopentadiene C5Cl6 (Mass of molecular ion: 270)
Source Temperature: 290 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 2.5 28.0 3.0 35.0 4.0 36.0 10.6 37.0 1.1 38.0 3.1 44.0 2.2 47.0 5.0 48.0 1.3 49.0 1.6 60.0 8.6 61.0 1.2 65.0 5.5 66.0 3.3 71.0 4.3 73.0 1.2 82.5 1.4 83.0 3.3 83.5 1.2 85.0 1.2 94.0 2.1 95.0 15.0 96.0 2.3 97.0 4.9 100.0 3.0 101.0 4.3 102.0 1.9 106.0 3.7 108.0 2.4 117.0 8.8 117.5 6.0 118.0 3.5 118.5 9.7 119.0 9.2 119.5 6.1 120.0 2.4 120.5 1.9 121.0 2.9 130.0 13.2 131.0 1.5 132.0 8.7 133.0 1.0 134.0 1.5 141.0 12.6 143.0 11.9 145.0 4.2 153.0 1.2 155.0 1.2 165.0 9.6 167.0 9.7 169.0 3.5 188.0 1.6 190.0 2.0 201.0 6.3 203.0 8.3 205.0 4.1 218.0 1.1 225.0 1.2 235.0 63.1 236.0 4.7 237.0 100.0 238.0 7.9 239.0 64.7 240.0 5.1 241.0 20.9 242.0 1.7 243.0 3.5 253.0 1.2 270.0 9.2 272.0 17.9 273.0 1.1 274.0 14.2 276.0 6.3 278.0 1.5
in CDCl3
liquid film
4880 A,200 M,liquid
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Hexachlorocyclopentadiene(77-47-4) Raman Atlas of Related Products