Bis(4-bromophenyl) ether(2050-47-7) MS
Product NameBis(4-bromophenyl) ether
CAS2050-47-7
Molecular FormulaC12H8Br2O
Molecular Weight328
InChIInChI=1S/C12H8Br2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H
InChIKey YAWIAFUBXXPJMQ-UHFFFAOYSA-N
SmilesO(C1=CC=C(Br)C=C1)C1=CC=C(Br)C=C1
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MassMS-NW-1846 bis(p-bromophenyl) ether C12H8Br2O (Mass of molecular ion: 326)
Source Temperature: 250 °C Sample Temperature: 180 °C Reservoir, 75 eV
18.0 2.8 37.0 1.6 38.0 6.8 39.0 4.6 50.0 27.1 51.0 5.6 61.0 1.5 62.0 4.6 63.0 17.8 64.0 11.1 65.0 3.6 69.0 1.5 69.5 4.9 70.0 2.3 73.0 1.2 74.0 9.0 75.0 28.0 76.0 29.3 77.0 4.0 84.0 15.7 84.5 2.3 89.0 1.1 92.0 4.1 93.0 1.6 113.0 1.2 114.0 1.9 117.0 2.5 119.0 2.5 123.0 1.4 123.5 2.6 124.0 1.7 124.5 2.5 129.0 1.0 131.0 1.0 138.0 1.1 139.0 16.2 140.0 21.7 141.0 3.6 143.0 7.4 145.0 7.2 155.0 12.0 156.0 1.0 157.0 11.9 167.0 1.1 168.0 45.7 169.0 6.3 171.0 3.3 172.0 5.4 173.0 3.5 174.0 5.1 193.0 1.1 195.0 1.0 219.0 15.8 220.0 2.1 221.0 15.5 222.0 2.0 246.0 1.3 248.0 3.2 250.0 1.9 326.0 51.4 327.0 6.9 328.0 100.0 329.0 13.2 330.0 49.1 331.0 6.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C12 H8 Br2 O 0.047 g : 0.5 ml CDCl3 bis(p-bromophenyl) ether 
Assign. Shift(ppm)
A 7.426 B 6.869
Hz ppm Int.673.63 7.522 51 670.44 7.486 726 669.81 7.479 236 668.94 7.470 73 668.19 7.461 214 663.69 7.411 240 661.38 7.385 1000 660.00 7.370 68 658.25 7.350 117 622.31 6.949 90 619.19 6.914 955 616.88 6.888 236 612.38 6.838 197 610.13 6.813 688 606.94 6.777 61
in CDCl3
KBr disc
nujol mull
