Product NameTodomatuic acid
CAS6753-22-6
Molecular FormulaC15H24O3
Molecular Weight252.35
InChI
InChIKey
Smiles
Mass
MS-IW-3031 (R-(R*,R*))-4-(1,5-dimethyl-3-oxohexyl)-1-cyclohexenecarboxylic acid C15H24O3 (Mass of molecular ion: 252)
Source Temperature: 130 °C Sample Temperature: 110 °C Direct, 75 eV
17.0 1.3 18.0 5.9 27.0 5.7 28.0 1.6 29.0 10.7 39.0 6.6 40.0 1.5 41.0 23.5 42.0 3.0 43.0 14.5 44.0 1.0 45.0 1.7 51.0 1.6 52.0 1.1 53.0 5.7 54.0 1.5 55.0 7.9 56.0 1.8 57.0 45.0 58.0 20.5 59.0 2.5 65.0 2.7 66.0 1.1 67.0 8.2 68.0 1.9 69.0 6.3 70.0 1.0 71.0 5.1 72.0 1.0 77.0 7.9 78.0 2.2 79.0 19.6 80.0 3.4 81.0 5.2 82.0 1.1 83.0 2.7 85.0 27.9 86.0 3.7 91.0 7.3 92.0 1.3 93.0 5.4 94.0 1.0 95.0 2.0 97.0 2.0 100.0 4.7 101.0 12.7 105.0 7.7 106.0 3.5 107.0 32.8 108.0 5.6 109.0 2.0 111.0 7.2 113.0 1.5 121.0 4.4 122.0 2.6 123.0 9.1 124.0 2.8 125.0 10.6 126.0 1.6 127.0 30.8 128.0 3.2 131.0 1.0 133.0 1.5 134.0 100.0 135.0 24.1 136.0 2.8 137.0 1.5 149.0 7.6 150.0 4.6 151.0 9.0 152.0 61.3 153.0 21.6 154.0 2.4 163.0 2.3 164.0 1.6 177.0 12.1 178.0 3.1 191.0 1.2 195.0 4.5 206.0 12.2 207.0 2.0 234.0 23.2 235.0 4.3 252.0 2.8
KBr disc
nujol mull
Todomatuic acid(6753-22-6) MS Atlas of Related Products
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