2,6-Dibromophenol(608-33-3) MS
Product Name2,6-Dibromophenol
CAS608-33-3
Molecular FormulaC6H4Br2O
Molecular Weight251.9
InChIInChI=1S/C6H4Br2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
InChIKey SSIZLKDLDKIHEV-UHFFFAOYSA-N
SmilesC1(O)=C(Br)C=CC=C1Br
-
MassMS-NW-7581 2,6-dibromophenol C6H4Br2O (Mass of molecular ion: 250)
Source Temperature: 260 °C Sample Temperature: 170 °C Reservoir, 75 eV
28.0 1.2 37.0 6.4 38.0 7.3 39.0 3.4 49.0 1.4 50.0 1.4 53.0 8.4 60.0 1.2 61.0 5.7 62.0 11.9 63.0 47.1 64.0 8.4 65.0 1.6 66.0 2.0 71.0 2.6 72.0 2.3 73.0 1.0 74.0 2.6 75.0 1.2 79.0 1.2 80.0 1.5 81.0 1.2 82.0 1.4 85.0 2.8 86.0 2.6 90.0 1.1 91.0 7.7 92.0 12.0 112.0 1.7 116.0 1.1 117.0 3.6 118.0 1.1 119.0 3.5 125.0 2.2 126.0 4.3 127.0 2.3 141.0 1.0 142.0 6.9 143.0 13.8 144.0 7.0 145.0 13.8 170.0 7.3 171.0 3.1 172.0 7.2 173.0 3.0 221.0 1.0 223.0 1.9 250.0 51.6 251.0 3.7 252.0 100.0 253.0 6.9 254.0 49.4 255.0 3.3
parameter in CDCl3
90 MHz in CDCl3
-
1H NMR 300 MHz C6 H4 Br2 O 0.037 g : 0.5 ml CDCl3 2,6-dibromophenol 
Parameter ppm Hz
D(A) 7.440 D(B) 6.699 J(A,B) 8.0 D(C) 5.89
Hz ppm Int.2236.08 7.454 924 2228.09 7.427 1000 2017.55 6.725 268 2009.56 6.699 435 2001.58 6.672 232 1767.00 5.890 355
-
1H NMR 89.56 MHz C6 H4 Br2 O 0.038 g : 0.5 ml CDCl3 2,6-dibromophenol Assign. Shift(ppm)
A 7.433 B 6.698 C 5.8
Hz ppm Int.674.00 7.526 41 670.63 7.489 731 670.06 7.482 686 667.44 7.453 56 667.13 7.449 56 666.81 7.446 58 666.50 7.442 63 665.94 7.436 64 662.50 7.398 1000 659.81 7.368 55 659.50 7.364 48 658.88 7.357 45 658.13 7.349 33 657.25 7.339 28 607.19 6.780 409 605.94 6.766 34 599.63 6.696 372 598.69 6.685 310 591.19 6.602 264 589.88 6.587 29
in CDCl3
KBr disc
nujol mull
