Molecular FormulaC9H5Br3O3
Molecular Weight400.8462
InChI
InChIKey
Smiles
Mass
MS-IW-5681 4-acetyl-3,5,7-tribromo-2-hydroxy-2,4,6-cycloheptatrien-1-one C9H5Br3O3 (Mass of molecular ion: 398)
Source Temperature: 160 °C Sample Temperature: 140 °C Direct, 75 eV
15.0 4.7 28.0 2.1 37.0 3.1 38.0 1.3 42.0 2.1 43.0 100.0 44.0 5.0 49.0 1.6 50.0 2.1 51.0 1.5 53.0 5.8 60.0 2.6 61.0 20.0 62.0 15.4 63.0 5.3 73.0 2.8 74.0 2.5 75.0 1.6 76.0 1.1 77.0 2.5 79.0 2.8 80.0 7.8 81.0 2.9 82.0 7.7 84.0 2.0 85.0 2.4 89.0 4.8 90.0 18.4 91.0 3.1 92.0 1.1 117.0 3.4 118.0 1.0 119.0 1.3 124.0 1.2 125.0 2.4 126.0 1.2 131.0 1.3 133.0 1.1 140.0 4.7 141.0 9.9 142.0 5.3 143.0 9.3 144.0 1.4 154.0 1.0 168.0 2.5 169.0 5.3 170.0 4.4 171.0 5.4 172.0 1.9 178.5 1.1 197.0 4.3 198.0 1.0 199.0 6.2 201.0 2.6 219.0 1.7 220.0 1.2 221.0 4.6 222.0 2.4 223.0 3.9 224.0 1.1 225.0 1.1 233.0 1.2 248.0 3.3 249.0 2.0 250.0 6.6 251.0 2.2 252.0 3.5 276.0 1.2 277.0 26.4 278.0 5.4 279.0 50.5 280.0 7.0 281.0 25.1 282.0 2.9 293.0 1.0 299.0 1.2 301.0 3.7 303.0 3.7 305.0 1.8 307.0 1.2 319.0 2.4 320.0 4.7 321.0 5.3 322.0 8.4 323.0 3.4 324.0 3.9 328.0 2.1 329.0 1.0 330.0 6.0 331.0 1.3 332.0 5.6 334.0 1.8 355.0 6.5 356.0 19.5 357.0 20.3 358.0 56.3 359.0 23.0 360.0 55.1 361.0 10.4 362.0 18.3 363.0 1.4 372.0 1.7 374.0 1.7 383.0 1.9 385.0 5.6 387.0 5.3 389.0 1.8 398.0 22.2 399.0 2.8 400.0 65.0 401.0 7.8 402.0 63.3 403.0 7.4 404.0 21.0 405.0 2.6
KBr disc
nujol mull
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