Molecular FormulaC11H12Br2O2
Molecular Weight336.01978
InChI
InChIKey
Smiles
Mass
MS-IW-7907 2,6-dibromo-3-isopropyl-7-methoxy-2,4,6-cycloheptatrienone C11H12Br2O2 (Mass of molecular ion: 334)
Source Temperature: 150 °C Sample Temperature: 150 °C Direct, 75 eV
15.0 2.5 17.0 1.3 18.0 7.1 27.0 6.8 28.0 6.4 29.0 1.4 37.0 1.3 38.0 2.1 39.0 11.2 40.0 1.3 41.0 10.1 42.0 1.0 43.0 8.2 44.0 3.7 45.0 1.5 50.0 6.7 51.0 13.5 52.0 3.8 53.0 6.7 55.0 3.5 59.0 2.4 61.0 4.0 62.0 11.8 63.0 14.7 64.0 3.0 65.0 6.1 65.5 2.1 66.0 2.0 67.0 1.2 73.0 1.8 74.0 7.2 75.0 7.8 76.0 4.6 77.0 18.2 78.0 6.4 79.0 7.1 80.0 8.7 81.0 3.0 82.0 8.8 83.0 1.1 84.0 2.2 85.0 2.8 86.0 1.9 87.0 2.4 88.0 4.9 89.0 17.2 90.0 13.3 91.0 8.7 92.0 2.5 93.0 1.5 94.0 1.0 96.0 1.0 98.0 1.5 99.0 1.5 101.0 3.0 102.0 9.6 103.0 15.4 104.0 9.1 105.0 16.5 106.0 2.6 107.0 1.1 115.0 10.4 116.0 16.3 117.0 15.4 118.0 12.5 119.0 4.0 120.0 1.7 121.0 1.1 128.0 1.3 129.0 2.3 130.0 3.7 131.0 17.1 132.0 11.3 133.0 24.1 134.0 4.4 141.0 4.3 143.0 5.3 144.0 5.5 145.0 6.3 146.0 15.7 147.0 12.1 148.0 24.5 149.0 2.9 155.0 1.4 156.0 1.1 157.0 1.5 158.0 6.2 159.0 1.4 160.0 1.3 161.0 15.0 162.0 2.6 167.0 1.0 168.0 1.8 169.0 6.6 170.0 2.6 171.0 6.2 172.0 1.8 175.0 9.6 176.0 18.4 177.0 2.3 181.0 1.8 182.0 4.1 183.0 3.9 184.0 6.2 185.0 5.4 186.0 3.2 187.0 3.3 188.0 1.1 195.0 1.7 196.0 2.9 197.0 9.3 198.0 6.4 199.0 10.5 200.0 4.7 201.0 2.9 209.0 2.3 210.0 14.6 211.0 8.0 212.0 36.5 213.0 17.6 214.0 23.7 215.0 11.6 216.0 1.1 222.0 1.2 223.0 2.6 224.0 4.1 225.0 48.6 226.0 11.0 227.0 50.9 228.0 8.4 229.0 5.5 237.0 4.3 239.0 6.1 240.0 9.4 241.0 3.2 242.0 8.6 243.0 1.3 249.0 1.4 250.0 1.4 251.0 1.2 254.0 1.6 255.0 25.2 256.0 4.7 257.0 24.6 258.0 3.3 263.0 2.7 265.0 3.4 266.0 1.1 267.0 1.4 276.0 3.5 277.0 8.1 278.0 9.4 279.0 15.5 280.0 9.8 281.0 8.2 282.0 3.5 289.0 4.0 290.0 1.0 291.0 35.5 292.0 7.1 293.0 59.6 294.0 11.3 295.0 28.2 296.0 5.3 301.0 2.7 303.0 6.2 304.0 5.0 305.0 9.5 306.0 11.9 307.0 10.1 308.0 9.8 309.0 4.8 310.0 2.8 319.0 2.7 320.0 5.0 321.0 5.5 322.0 9.0 323.0 3.7 324.0 4.5 334.0 50.4 335.0 10.1 336.0 100.0 337.0 17.9 338.0 50.0 339.0 8.2
KBr disc
nujol mull
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