3,4,5,6-TETRABROMO-O-CRESOL(576-55-6) IR1
Product Name3,4,5,6-TETRABROMO-O-CRESOL
CAS576-55-6
Molecular FormulaC7H4Br4O
Molecular Weight423.72
InChIInChI=1S/C7H4Br4O/c1-2-3(8)4(9)5(10)6(11)7(2)12/h12H,1H3
InChIKey GGIDUULRWQOXLR-UHFFFAOYSA-N
SmilesC1(O)=C(C)C(Br)=C(Br)C(Br)=C1Br
-
MassMS-IW-7573 3,4,5,6-tetrabromo-o-cresol C7H4Br4O (Mass of molecular ion: 420)
Source Temperature: 150 °C Sample Temperature: 140 °C Direct, 75 eV
18.0 1.4 37.0 1.3 50.0 1.8 51.0 1.7 61.0 1.1 73.0 2.1 74.0 6.8 75.0 8.4 76.0 2.7 76.5 1.3 77.0 3.2 77.5 1.4 78.0 2.8 91.0 1.6 92.0 1.2 102.0 1.0 103.0 2.8 104.0 1.5 116.0 1.9 117.0 4.4 117.5 1.4 118.0 3.8 119.0 1.0 128.0 1.2 130.0 1.4 130.5 1.4 131.0 3.0 131.5 2.7 132.0 1.8 132.5 1.4 133.0 2.4 153.0 2.3 154.0 3.9 155.0 6.1 156.0 4.3 157.0 5.7 158.0 2.5 170.5 3.1 171.5 8.7 172.0 1.1 172.5 8.5 173.5 2.8 183.0 1.8 185.0 1.4 211.0 1.4 212.0 2.1 213.0 1.2 233.0 4.3 234.0 5.2 235.0 7.9 236.0 8.9 237.0 4.2 238.0 4.0 261.0 3.4 262.0 2.5 263.0 7.5 264.0 4.8 265.0 4.2 266.0 2.5 313.0 1.6 314.0 1.9 315.0 3.2 316.0 2.0 317.0 2.7 325.0 1.0 327.0 1.2 340.0 1.6 341.0 10.8 342.0 5.6 343.0 30.2 344.0 7.7 345.0 29.7 346.0 5.1 347.0 9.7 348.0 1.1 420.0 17.8 421.0 3.0 422.0 69.1 423.0 7.3 424.0 100.0 425.0 8.8 426.0 64.8 427.0 5.6 428.0 16.1 429.0 1.2
400 MHz in CDCl3
-
1H NMR 399.65 MHz C7 H4 Br4 O 0.038 g : 0.5 ml CDCl3 3,4,5,6-tetrabromo-o-cresol 
Assign. Shift(ppm)
A 6. B 2.452
Hz ppm Int.980.10 2.453 1000
in CDCl3
KBr disc
nujol mull
