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2,3,4,5,6-PENTACHLOROBIPHENYL(18259-05-7) 1H NMR
Product Name2,3,4,5,6-PENTACHLOROBIPHENYL
CAS18259-05-7
Molecular FormulaC12H5Cl5
Molecular Weight326.43
InChIInChI=1S/C12H5Cl5/c13-8-7(6-4-2-1-3-5-6)9(14)11(16)12(17)10(8)15/h1-5H
InChIKey GGMPTLAAIUQMIE-UHFFFAOYSA-N
SmilesC1(C2=CC=CC=C2)=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl
parameter in CDCl3
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1H NMR 300 MHz C12 H5 Cl5 2.39 mol% in CDCl3 2,3,4,5,6-pentachlorobiphenyl 
Parameter ppm Hz
D(A) 7.183 D(B) 7.472 D(C) 7.439 J(A,A') 1.92 J(A,B) 7.75 J(A,B') 0.64 J(A,C) 1.21 J(A',B) 0.64 J(A',B') 7.75 J(A',C) 1.21 J(B,B') 1.36 J(B,C) 7.54 J(B',C) 7.54 YANAGISAWA,M. ET AL. MAGN.RESON.CHEM. 25, 184 (1987)
Hz ppm Int.2252.08 7.507 85 2250.34 7.501 59 2248.86 7.496 118 2247.25 7.491 78 2246.10 7.487 74 2245.27 7.484 73 2243.58 7.479 396 2243.11 7.477 420 2241.52 7.472 253 2239.59 7.465 159 2237.91 7.460 457 2235.86 7.453 1000 2234.06 7.447 320 2233.14 7.444 185 2230.35 7.434 167 2229.04 7.430 135 2223.91 7.413 39 2222.26 7.408 40 2220.78 7.403 16 2167.22 7.224 12 2164.49 7.215 16 2159.47 7.198 497 2157.48 7.192 397 2155.37 7.185 180 2153.90 7.180 174 2153.04 7.177 211 2151.47 7.172 440 2149.95 7.166 415 2147.06 7.157 42
in CDCl3
