Product Name2,5-Dibromo-3-isopropyl-6-methylbenzoquinone
CAS29096-93-3
Molecular FormulaC10H10Br2O2
Molecular Weight321.99
InChI
InChIKey
Smiles
Mass
MS-IW-0021 2,5-dibromo-3-isopropyl-6-methyl-p-benzoquinone C10H10Br2O2 (Mass of molecular ion: 320)
Source Temperature: 110 °C Sample Temperature: 80 °C Direct, 75 eV
18.0 4.2 27.0 5.6 28.0 2.1 29.0 1.1 37.0 1.7 38.0 5.6 39.0 25.4 40.0 2.4 41.0 13.7 42.0 1.0 43.0 11.4 44.0 2.0 45.0 2.9 50.0 5.4 51.0 15.6 52.0 6.4 53.0 6.8 55.0 2.0 59.0 2.9 61.0 1.4 62.0 3.2 63.0 7.8 64.0 2.4 65.0 11.9 65.5 1.2 66.0 8.9 66.5 1.3 67.0 46.1 68.0 2.2 74.0 2.2 75.0 2.2 76.0 1.4 77.0 9.5 78.0 4.1 79.0 11.1 80.0 2.3 81.0 1.4 82.0 1.0 85.0 1.3 86.0 1.1 89.0 5.3 90.0 5.4 91.0 17.5 92.0 2.3 93.0 3.6 95.0 2.7 99.0 1.0 103.0 3.7 104.0 1.9 105.0 14.6 106.0 15.0 107.0 1.8 115.0 3.1 116.0 3.7 117.0 3.0 118.0 2.9 119.0 6.5 120.0 1.1 120.5 1.3 121.0 1.1 121.5 1.0 131.0 5.6 132.0 1.2 133.0 12.6 134.0 44.6 135.0 4.6 144.0 2.1 145.0 2.2 146.0 1.7 147.0 12.8 148.0 1.5 157.0 1.5 159.0 1.4 161.0 8.2 162.0 57.3 163.0 6.5 169.0 1.7 170.0 1.6 171.0 2.9 172.0 1.6 173.0 1.8 185.0 8.6 186.0 1.3 187.0 8.0 197.0 2.0 198.0 5.0 199.0 3.3 200.0 4.7 201.0 3.2 203.0 1.2 212.0 1.9 213.0 16.8 214.0 3.4 215.0 16.1 216.0 1.6 225.0 3.7 226.0 20.5 227.0 5.1 228.0 20.8 229.0 2.2 230.0 1.2 239.0 1.3 240.0 3.7 241.0 54.8 242.0 9.8 243.0 53.0 244.0 6.0 249.0 1.1 251.0 2.3 253.0 1.2 264.0 5.6 265.0 1.0 266.0 10.7 267.0 1.2 268.0 5.4 277.0 1.4 279.0 2.9 281.0 1.7 292.0 45.6 293.0 5.5 294.0 89.8 295.0 10.4 296.0 44.4 297.0 5.1 305.0 3.7 307.0 8.5 309.0 6.9 311.0 2.0 320.0 50.1 321.0 6.6 322.0 100.0 323.0 11.9 324.0 51.3 325.0 5.9 326.0 2.1
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C10 H10 Br2 O2 | 0.031 g : 0.5 ml CDCl3 |
2,5-dibromo-3-isopropyl-6-methyl-p-benzoquinone |
Assign. Shift(ppm) |
Hz ppm Int.
1404.30 3.514 26 1397.34 3.497 66 1390.26 3.479 89 1383.30 3.462 67 1376.22 3.444 27 916.87 2.295 25 915.16 2.290 44 912.11 2.283 1000 908.81 2.275 33 532.84 1.334 925 525.88 1.316 911
in CDCl3
KBr disc
nujol mull
2,5-Dibromo-3-isopropyl-6-methylbenzoquinone(29096-93-3) IR1 Atlas of Related Products
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