Molecular Formula
Molecular Weight
InChI
InChIKey
Smiles
Mass
MS-IW-8292 2-hydroxy-3-oxo-1,4,6-cycloheptatrienyl p-toluenesulfonate C14H12O5S (Mass of molecular ion: 292)
Source Temperature: 180 °C Sample Temperature: 170 °C Direct, 75 eV
17.0 1.8 18.0 8.3 26.0 2.3 27.0 5.3 28.0 2.2 29.0 1.3 37.0 1.0 38.0 2.3 39.0 9.8 40.0 1.0 41.0 2.7 45.0 1.9 48.0 1.8 50.0 5.4 51.0 8.3 52.0 12.0 53.0 7.2 54.0 1.8 55.0 3.0 61.0 1.1 62.0 2.3 63.0 8.4 64.0 8.9 65.0 25.6 66.0 2.0 67.0 2.1 69.0 1.4 77.0 6.1 78.0 1.9 79.0 3.4 80.0 15.8 81.0 8.5 82.0 2.1 89.0 5.3 90.0 2.8 91.0 100.0 92.0 31.0 93.0 2.5 95.0 3.2 107.0 5.6 108.0 10.6 109.0 8.0 110.0 13.6 111.0 2.1 121.0 1.2 123.0 5.2 124.0 4.1 137.0 1.7 138.0 27.2 139.0 15.7 140.0 1.9 151.0 1.0 155.0 44.3 156.0 16.0 157.0 3.7 211.0 1.7 227.0 1.2 228.0 24.0 229.0 3.8 242.0 2.4 292.0 4.4
KBr disc
nujol mull
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