CAPTAFOL(2425-06-1) IR1
Molecular FormulaC10H9Cl4NO2S
Molecular Weight349.06
InChIInChI=1S/C10H9Cl4NO2S/c11-9(12)10(13,14)18-15-7(16)5-3-1-2-4-6(5)8(15)17/h1-2,5-6,9H,3-4H2
InChIKey JHRWWRDRBPCWTF-UHFFFAOYSA-N
SmilesC1(=O)C2C(CC=CC2)C(=O)N1SC(Cl)(Cl)C(Cl)Cl
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MassMS2001-00741WA difolatan C10H9Cl4NO2S (Mass of molecular ion: 347)
Source Temperature: 205 °C Sample Temperature: 25 °C Direct, 70 eV
18.0 1.5 27.0 4.2 39.0 6.9 40.0 1.2 41.0 3.0 45.0 1.2 46.0 1.1 50.0 1.4 51.0 4.9 52.0 4.2 53.0 5.3 54.0 1.8 55.0 1.2 57.0 2.4 60.0 1.5 65.0 3.0 66.0 1.4 67.0 2.0 70.0 5.2 72.0 2.2 74.0 1.3 76.0 1.2 77.0 24.1 78.0 14.1 79.0 100.0 80.0 30.5 81.0 2.7 82.0 1.3 83.0 3.4 85.0 2.1 92.0 3.7 94.0 1.8 95.0 2.2 97.0 1.3 105.0 4.2 106.0 4.2 107.0 12.0 108.0 1.7 111.0 2.1 114.0 4.6 116.0 1.5 121.0 3.4 122.0 3.3 127.0 1.7 129.0 1.9 130.0 4.0 131.0 1.1 132.0 3.5 134.0 3.1 136.0 1.0 142.0 2.2 148.0 2.6 149.0 14.1 150.0 8.0 151.0 1.9 154.0 2.7 156.0 2.0 158.0 1.4 161.0 1.5 162.0 2.8 163.0 1.6 164.0 3.0 165.0 6.4 166.0 1.3 167.0 7.5 169.0 5.1 171.0 2.1 182.0 9.8 183.0 17.6 184.0 2.4 185.0 1.0 236.0 2.4 238.0 1.6 242.0 1.2 264.0 9.0 265.0 1.0 266.0 6.3 268.0 1.3 276.0 3.5 277.0 2.7 278.0 2.7 279.0 1.9 311.0 10.7 312.0 10.8 313.0 11.9 314.0 11.0 315.0 5.0 316.0 3.9 317.0 1.0 347.0 8.6 348.0 1.1 349.0 11.5 350.0 1.6 351.0 6.0 353.0 1.5
in CDCl3
in CDCl3
KBr disk
Nujol
