2,4,6-Tribromophenol(118-79-6) MS
Product Name2,4,6-Tribromophenol
CAS118-79-6
Molecular FormulaC6H3Br3O
Molecular Weight330.8
InChIInChI=1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
InChIKey BSWWXRFVMJHFBN-UHFFFAOYSA-N
SmilesC1(O)=C(Br)C=C(Br)C=C1Br
-
MassMS-NW-0292 2,4,6-tribromophenol C6H3Br3O (Mass of molecular ion: 328)
Source Temperature: 150 °C Sample Temperature: 0 °C Direct, 75 eV
18.0 1.5 37.0 3.6 38.0 1.4 49.0 1.0 50.0 1.0 53.0 4.2 60.0 2.1 61.0 10.4 62.0 18.1 63.0 9.0 70.0 1.9 71.0 2.0 73.0 1.4 74.0 1.9 85.0 1.0 90.0 4.1 91.0 4.2 110.0 2.1 111.0 4.2 112.0 2.1 117.0 1.4 118.0 1.0 119.0 1.0 125.0 1.7 140.0 1.0 141.0 13.2 142.0 2.5 143.0 13.0 144.0 1.5 164.0 1.3 165.0 3.8 166.0 3.9 167.0 1.2 169.0 1.6 170.0 4.1 171.0 1.9 172.0 3.9 197.0 1.0 220.0 4.3 221.0 3.5 222.0 8.6 223.0 6.3 224.0 4.3 225.0 3.0 248.0 4.0 249.0 1.1 250.0 7.5 251.0 2.2 252.0 3.8 253.0 1.1 301.0 1.5 303.0 1.5 328.0 34.5 329.0 2.8 330.0 100.0 331.0 6.9 332.0 98.0 333.0 6.8 334.0 32.0 335.0 2.1
400 MHz in CDCl3
-
1H NMR 399.65 MHz C6 H3 Br3 O 0.039 g : 0.5 ml CDCl3 2,4,6-tribromophenol 
Assign. Shift(ppm)
A 7.588 B 5.94
Hz ppm Int.3032.59 7.589 1000
in CDCl3
CCl4 solution
KBr disc
nujol mull
4880 A,200 M,powder
