Triclosan(3380-34-5) IR2
Molecular FormulaC12H7Cl3O2
Molecular Weight289.54
InChIInChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H
InChIKey XEFQLINVKFYRCS-UHFFFAOYSA-N
SmilesC1(O)=CC(Cl)=CC=C1OC1=CC=C(Cl)C=C1Cl
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MassMS2001-00130WA 2,4,4'-trichloro-2'-hydroxydiphenyl ether C12H7Cl3O2 (Mass of molecular ion: 288)
Source Temperature: 210 °C Sample Temperature: 25 °C Direct, 70 eV
18.0 2.9 29.0 1.2 37.0 1.7 38.0 3.0 39.0 2.5 49.0 1.4 50.0 10.7 51.0 22.6 52.0 3.7 53.0 7.3 60.0 2.0 61.0 4.3 62.0 10.1 63.0 28.5 64.0 3.1 66.0 1.0 72.0 2.5 73.0 13.8 74.0 18.4 75.0 16.6 76.0 1.6 77.0 1.4 79.0 15.9 80.0 1.5 83.0 1.2 84.0 4.5 85.0 3.8 86.0 6.5 87.0 5.8 88.0 2.2 89.0 2.2 91.0 1.2 97.0 4.1 98.0 6.0 99.0 9.9 100.0 2.3 101.0 2.9 107.0 1.8 108.0 1.6 109.0 24.8 110.0 7.0 111.0 11.3 112.0 2.7 113.0 2.2 114.0 21.9 115.0 36.3 116.0 8.5 117.0 11.6 125.0 1.5 126.0 5.9 127.0 3.0 128.0 1.6 133.0 13.7 134.0 1.0 135.0 9.0 136.0 1.1 137.0 1.5 142.0 1.3 143.0 25.1 144.0 3.4 145.0 28.0 146.0 31.4 147.0 14.8 148.0 19.5 149.0 3.4 150.0 3.2 155.0 3.1 160.0 1.8 161.0 4.6 162.0 7.3 163.0 2.8 164.0 3.1 173.0 1.4 189.0 7.6 190.0 2.1 191.0 2.9 196.0 1.6 198.0 1.1 217.0 2.5 218.0 65.6 219.0 9.7 220.0 21.3 221.0 2.9 225.0 2.1 227.0 1.2 252.0 10.4 253.0 9.7 254.0 8.9 255.0 6.4 256.0 2.7 257.0 1.2 288.0 100.0 289.0 13.2 290.0 97.3 291.0 12.8 292.0 31.8 293.0 4.0 294.0 3.7
KBr disk
Nujol
