Molecular Formula
Molecular Weight
InChI
InChIKey
Smiles
Mass
MS-IW-8284 3-isopropyl-6-methoxy-7-oxo-1,3,5-cycloheptatrienyl p-toluenesulfonate C18H20O5S (Mass of molecular ion: 348)
Source Temperature: 180 °C Sample Temperature: 190 °C Direct, 75 eV
17.0 1.7 18.0 8.5 27.0 4.4 28.0 4.8 29.0 1.6 38.0 1.5 39.0 12.7 40.0 1.7 41.0 10.0 43.0 34.9 44.0 1.4 45.0 5.2 48.0 3.9 50.0 3.3 51.0 9.5 52.0 4.6 53.0 7.0 54.0 1.1 55.0 4.6 57.0 1.0 59.0 2.2 62.0 2.0 63.0 6.5 64.0 13.0 65.0 24.2 66.0 3.2 67.0 4.3 69.0 2.1 77.0 21.7 78.0 5.8 79.0 28.3 80.0 3.7 81.0 2.0 89.0 5.4 90.0 3.4 91.0 89.3 92.0 21.7 93.0 6.9 94.0 4.8 95.0 37.0 96.0 2.8 103.0 5.5 104.0 1.7 105.0 29.8 106.0 5.3 107.0 13.1 108.0 4.1 109.0 2.5 110.0 1.1 111.0 1.6 115.0 1.8 117.0 1.8 118.0 1.3 119.0 15.7 120.0 5.1 121.0 9.0 122.0 18.8 123.0 8.7 124.0 4.1 125.0 1.5 131.0 2.1 133.0 17.6 134.0 4.1 135.0 4.8 136.0 2.7 137.0 35.0 138.0 3.7 139.0 7.8 140.0 1.1 147.0 3.7 148.0 11.9 149.0 8.7 150.0 3.8 151.0 17.0 152.0 2.6 155.0 11.6 156.0 4.9 157.0 1.1 161.0 4.7 162.0 1.1 163.0 3.2 164.0 4.3 165.0 100.0 166.0 11.8 167.0 1.5 175.0 1.0 176.0 3.8 177.0 1.9 178.0 1.6 179.0 5.2 180.0 7.8 181.0 2.1 192.0 1.2 193.0 30.6 194.0 28.3 195.0 4.8 211.0 1.1 223.0 1.6 241.0 3.4 253.0 1.1 255.0 1.5 256.0 1.8 270.0 2.8 284.0 53.7 285.0 10.5 286.0 1.3 320.0 1.1 348.0 11.5 349.0 5.1 350.0 1.4
KBr disc
nujol mull
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