9,10-Dibromoanthracene(523-27-3) IR2
Product Name9,10-Dibromoanthracene
CAS523-27-3
Molecular FormulaC14H8Br2
Molecular Weight336.02
InChIInChI=1S/C14H8Br2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H
InChIKey BRUOAURMAFDGLP-UHFFFAOYSA-N
SmilesC1=C2C(C(Br)=C3C(=C2Br)C=CC=C3)=CC=C1
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MassMS-NW-2470 9,10-dibromoanthracene C14H8Br2 (Mass of molecular ion: 334)
Source Temperature: 220 °C Sample Temperature: 140 °C Direct, 75 eV
17.0 3.7 18.0 18.3 28.0 4.4 39.0 1.6 44.0 3.5 50.0 2.5 51.0 2.1 61.0 1.9 61.5 1.0 62.0 4.1 63.0 3.0 73.0 1.5 74.0 8.4 74.5 1.9 75.0 12.5 75.5 1.2 76.0 2.1 85.0 1.8 86.0 3.5 87.0 15.5 87.5 9.8 88.0 47.3 88.5 7.1 98.0 5.1 99.0 4.1 100.0 1.5 110.0 1.9 111.0 2.0 122.0 2.6 123.0 2.0 124.0 1.1 125.0 1.2 126.0 2.7 127.0 3.0 127.5 2.0 128.0 3.5 128.5 1.7 149.0 5.1 150.0 12.1 151.0 2.2 167.0 6.2 167.5 1.1 168.0 11.8 168.5 1.8 169.0 5.7 173.0 1.0 174.0 15.3 175.0 16.9 176.0 100.0 177.0 15.6 178.0 1.5 254.0 2.1 255.0 7.4 256.0 4.1 257.0 7.6 258.0 2.1 334.0 26.4 335.0 4.3 336.0 54.6 337.0 9.1 338.0 27.7 339.0 4.0
400 MHz at 50C
parameter in CDCl3
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1H NMR 399.65 MHz C14 H8 Br2 0.030 g : 0.5 ml CDCl3 at 50 C 9,10-dibromoanthracene 
Assign. Shift(ppm)
A 8.559 B 7.594
Hz ppm Int.3429.93 8.583 90 3428.71 8.580 124 3425.90 8.573 814 3422.73 8.565 620 3419.07 8.556 610 3415.89 8.548 886 3413.09 8.541 121 3411.99 8.538 95 3044.07 7.617 104 3042.85 7.614 140 3040.16 7.608 1000 3036.87 7.599 682 3033.20 7.590 705 3030.03 7.582 984 3027.34 7.575 122 3026.12 7.572 93
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1H NMR 300 MHz C14 H8 Br2 in CDCl3 9,10-dibromoanthracene Parameter ppm Hz
D(A) 8.59 D(B) 7.63 J(A,A') 0.3 J(A,B) 9.2 J(A,B') 1.1 J(A',B) 1.1 J(A',B') 9.2 J(B,B') 6.3 SHRPLESS,N.E. ET AL. ORG.MAGN.RESON. 6, 115 (1974)
Hz ppm Int.2585.16 8.617 141 2582.22 8.607 932 2579.06 8.597 769 2575.10 8.584 769 2571.94 8.573 1000 2568.93 8.563 164 2297.08 7.657 166 2294.08 7.647 1000 2290.91 7.636 773 2286.95 7.623 771 2283.78 7.613 933 2280.84 7.603 142
in CDCl3
CCl4 solution
KBr disc
nujol mull
