2,6-Dibromo-4-bromomethyl-phenol(5532-75-2) IR3
Product Name2,6-Dibromo-4-bromomethyl-phenol
CAS5532-75-2
Molecular FormulaC7H5Br3O
Molecular Weight344.83
InChIInChI=1S/C7H5Br3O/c8-3-4-1-5(9)7(11)6(10)2-4/h1-2,11H,3H2
InChIKey VAYGTMNZLZAUDL-UHFFFAOYSA-N
SmilesC1(O)=C(Br)C=C(CBr)C=C1Br
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MassMS-NW-8166 2,6-dibromo-4-(bromomethyl)phenol C7H5Br3O (Mass of molecular ion: 342)
Source Temperature: 160 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 4.4 26.0 1.1 27.0 1.2 28.0 1.4 37.0 3.4 38.0 9.2 39.0 2.3 49.0 3.4 50.0 30.5 51.0 23.3 52.0 3.1 53.0 13.8 61.0 2.0 62.0 2.8 63.0 1.6 73.0 2.0 74.0 11.2 75.0 39.2 76.0 29.9 77.0 11.8 77.5 1.3 78.0 7.3 78.5 1.3 79.0 12.4 80.0 30.3 81.0 11.1 82.0 29.6 91.5 1.4 92.0 1.3 92.5 1.5 93.0 1.2 94.0 1.2 104.0 1.2 105.0 4.7 107.0 1.0 117.0 2.4 118.0 4.0 119.0 2.1 128.0 1.0 129.0 2.3 130.0 2.1 131.0 3.1 131.5 4.3 132.0 2.4 132.5 8.2 133.0 1.5 133.5 4.1 154.0 1.1 155.0 27.2 156.0 7.0 157.0 26.6 158.0 6.0 172.0 1.0 183.0 20.2 184.0 4.4 185.0 20.8 186.0 4.4 187.0 1.0 234.0 2.8 236.0 5.5 238.0 2.7 262.0 31.7 263.0 51.9 264.0 66.4 265.0 100.0 266.0 38.8 267.0 49.0 268.0 4.4 279.0 1.1 280.0 1.2 282.0 1.0 342.0 5.3 343.0 1.0 344.0 13.4 345.0 1.6 346.0 12.5 347.0 1.2 348.0 4.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H5 Br3 O 0.048 g : 0.5 ml CDCl3 2,6-dibromo-4-(bromomethyl)phenol 
Assign. Shift(ppm)
A 7.488 B 5.9 C 4.363 J(A,C)=-0.4HZ.
Hz ppm Int.670.69 7.489 1000 532.13 5.942 30 390.88 4.365 805
in CDCl3
CCl4 solution
KBr disc
nujol mull
