Molecular FormulaC13H9BrO4
Molecular Weight309.11216
InChI
InChIKey
Smiles
Mass
MS-IW-5302 3-bromo-7-(2,5-dihydroxyphenyl)-2-hydroxy-2,4,6-cycloheptatrien-1-one C13H9BrO4 (Mass of molecular ion: 308)
Source Temperature: 190 °C Sample Temperature: 240 °C Direct, 75 eV
17.0 5.1 18.0 25.0 26.0 1.9 27.0 3.4 28.0 22.2 29.0 2.0 31.0 4.7 37.0 1.1 38.0 2.7 39.0 6.2 43.0 1.4 44.0 2.1 45.0 3.1 46.0 1.1 49.0 1.2 50.0 9.1 50.5 1.3 51.0 11.2 52.0 2.4 53.0 6.8 54.0 3.8 55.0 10.7 56.0 1.2 57.0 1.7 57.5 2.0 58.0 2.3 59.0 2.5 61.0 2.2 62.0 7.4 62.5 1.4 63.0 30.6 63.5 10.3 64.0 4.8 64.5 2.3 65.0 4.5 66.0 1.5 68.0 1.2 69.0 1.4 71.0 1.0 72.0 2.0 72.5 1.1 73.0 1.5 74.0 11.8 75.0 12.9 76.0 6.3 77.0 20.2 77.5 26.3 78.0 5.7 79.0 5.6 80.0 14.8 81.0 5.3 82.0 14.6 85.0 1.4 86.0 4.5 87.0 5.6 88.0 2.4 89.0 6.1 90.0 2.6 91.0 6.5 91.5 4.0 92.0 4.0 98.0 4.7 99.0 6.0 100.0 6.7 101.0 10.9 102.0 3.6 103.0 1.8 104.0 1.5 105.0 2.0 105.5 6.4 106.0 1.7 109.0 1.1 110.0 1.8 111.0 1.0 113.0 1.3 114.0 1.3 114.5 5.1 115.0 10.9 116.0 3.1 117.0 3.2 118.0 2.9 119.0 1.3 122.0 1.2 125.0 3.3 126.0 28.2 127.0 31.9 128.0 8.9 129.0 3.3 131.0 15.6 131.5 2.0 132.0 14.6 132.5 2.1 134.0 1.1 137.0 1.4 138.0 1.1 139.0 1.2 143.0 1.1 144.0 3.5 145.0 5.8 145.5 1.0 146.0 4.2 147.0 1.9 153.0 1.3 154.0 4.0 155.0 89.4 156.0 12.1 157.0 2.3 168.0 1.1 171.0 3.2 172.0 2.7 173.0 3.0 174.0 1.3 180.0 1.1 181.0 1.0 182.0 4.8 183.0 21.1 184.0 22.5 185.0 4.1 199.0 1.4 200.0 7.4 201.0 8.0 202.0 2.1 206.0 2.4 207.0 1.7 208.0 2.7 209.0 1.6 210.0 2.2 211.0 48.2 212.0 20.2 213.0 5.5 214.0 1.3 225.0 1.8 227.0 2.2 228.0 4.2 229.0 8.9 230.0 2.8 233.0 3.6 234.0 2.9 235.0 5.0 236.0 3.4 237.0 1.6 261.0 1.5 262.0 100.0 263.0 15.4 264.0 98.3 265.0 13.9 266.0 1.7 280.0 4.8 281.0 1.2 282.0 4.0 289.0 1.0 290.0 81.2 291.0 49.0 292.0 85.0 293.0 48.1 294.0 6.4 306.0 1.1 307.0 17.7 308.0 30.2 309.0 21.2 310.0 28.7 311.0 4.3
KBr disc
nujol mull
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