Product NamePENTACHLOROTHIOPHENOL
CAS133-49-3
Molecular FormulaC6HCl5S
Molecular Weight282.4
InChIInChI=1S/C6HCl5S/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
InChIKey LLMLGZUZTFMXSA-UHFFFAOYSA-N
SmilesC1(S)=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl
Mass
MS-NW-1613 pentachlorobenzenethiol C6HCl5S (Mass of molecular ion: 280)
Source Temperature: 210 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 2.6 28.0 1.3 32.0 1.4 35.0 2.0 36.0 4.6 38.0 1.1 44.0 1.8 45.0 2.7 47.0 3.2 48.0 1.0 49.0 1.0 60.0 4.8 61.0 1.5 68.0 4.1 69.0 1.3 69.5 5.9 70.0 1.3 70.5 2.2 71.0 5.0 72.0 1.7 73.0 1.5 79.0 23.3 80.0 1.3 81.0 8.4 83.0 1.6 87.0 7.8 88.0 5.3 89.0 1.0 91.0 1.1 92.0 2.6 95.0 7.8 96.0 2.3 97.0 2.7 103.0 12.2 104.0 3.6 104.5 1.6 105.0 8.6 105.5 1.7 106.0 5.1 107.0 5.2 108.0 1.7 109.0 1.6 115.0 2.5 117.0 1.4 118.0 2.5 120.0 1.5 122.0 8.3 123.0 10.5 123.5 1.1 124.0 5.5 125.0 1.4 127.0 5.0 129.0 1.9 130.0 3.5 131.0 2.5 132.0 2.3 133.0 1.6 139.0 11.4 140.0 6.5 141.0 12.5 142.0 9.7 143.0 4.4 144.0 3.6 145.0 1.1 165.0 5.7 167.0 5.5 169.0 1.8 174.0 8.1 175.0 3.0 176.0 5.9 177.0 3.8 178.0 1.5 179.0 2.1 201.0 2.2 203.0 2.8 205.0 1.3 209.0 8.3 210.0 22.0 211.0 9.8 212.0 23.2 213.0 4.8 214.0 9.6 215.0 1.4 216.0 2.0 237.0 1.5 244.0 16.5 245.0 47.4 246.0 25.5 247.0 63.5 248.0 17.2 249.0 33.4 250.0 7.6 251.0 8.4 252.0 2.5 253.0 1.1 279.0 2.0 280.0 62.6 281.0 7.9 282.0 100.0 283.0 9.5 284.0 66.8 285.0 5.8 286.0 23.5 287.0 1.9 288.0 4.3
CCl4 solution
KBr disc
nujol mull
4880 A,100M,powder
PENTACHLOROTHIOPHENOL(133-49-3) IR1 Atlas of Related Products
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