3-Bromostyrene(2039-86-3) 1H NMR
Product Name3-Bromostyrene
CAS2039-86-3
Molecular FormulaC8H7Br
Molecular Weight183.05
InChIInChI=1S/C8H7Br/c1-2-7-4-3-5-8(9)6-7/h2-6H,1H2
InChIKey KQJQPCJDKBKSLV-UHFFFAOYSA-N
SmilesC1(Br)=CC=CC(C=C)=C1
parameter in CS2
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1H NMR 300 MHz C8 H7 Br 5 mol% in CS2 3-bromostyrene 
Parameter ppm Hz
D(A) 7.415 D(B) 7.248 D(C) 7.073 D(D) 7.183 D(E) 6.549 D(F) 5.655 D(G) 5.212 J(A,B) 1.98 J(A,C) 0.40 J(A,D) 1.66 J(A,E) -0.50 J(A,F) 0.50 J(A,G) 0.17 J(B,C) 7.94 J(B,D) 1.04 J(B,E) -0.25 J(B,F) 0.25 J(B,G) 0.28 J(C,D) 7.72 J(C,E) 0.33 J(C,F) 0.05 J(C,G) 0.05 J(D,E) -0.50 J(D,F) 0.05 J(D,G) 0.19 J(E,F) 17.49 J(E,G) 10.84 J(F,G) 0.77 BARFIELD,M. ET AL. J.AM.CHEM.SOC. 93, 4195 (1971) J(A,F) & J(C,F) & J(C,G) & J(D,F)<0.05
Hz ppm Int.2226.14 7.420 495 2224.52 7.415 905 2222.93 7.410 544 2180.13 7.267 298 2178.88 7.263 373 2177.09 7.257 290 2172.31 7.241 387 2171.09 7.237 511 2169.27 7.231 402 2160.36 7.201 263 2159.20 7.197 415 2157.99 7.193 260 2152.69 7.176 447 2151.47 7.172 656 2128.91 7.096 758 2121.16 7.071 1000 2113.41 7.045 362 1979.23 6.597 404 1968.40 6.561 430 1961.72 6.539 463 1950.91 6.503 486 1704.97 5.683 838 1687.48 5.625 736 1569.20 5.231 788 1568.71 5.229 787 1558.39 5.195 750 1557.88 5.193 746
