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Product Name2,2',3,5'-TETRACHLOROBIPHENYL
CAS41464-39-5
Molecular FormulaC12H6Cl4
Molecular Weight291.99
InChIInChI=1S/C12H6Cl4/c13-7-4-5-10(14)9(6-7)8-2-1-3-11(15)12(8)16/h1-6H
InChIKey ALDJIKXAHSDLLB-UHFFFAOYSA-N
SmilesC1(C2=CC(Cl)=CC=C2Cl)=CC=CC(Cl)=C1Cl
1HNMR
13CNMR
parameter in CDCl3
Parameter ppm Hz D(A) 7.510 D(B) 7.255 D(C) 7.141 J(A,B) 8.08 J(A,C) 1.55 J(B,C) 7.65 D(D) 7.400 D(E) 7.316 D(F) 7.249 J(D,E) 8.59 J(D,F) 0.35 J(E,F) 2.55 YANAGISAWA,M. ET AL. MAGN.RESON.CHEM. 25, 184 (1987)
Hz ppm Int.
2258.04 7.527 434 2256.42 7.521 447 2250.03 7.500 535 2248.40 7.495 549 2224.92 7.416 474 2216.38 7.388 920 2199.70 7.332 580 2197.21 7.324 684 2191.14 7.304 265 2188.65 7.295 396 2184.54 7.282 426 2176.78 7.256 951 2176.07 7.254 1000 2173.47 7.245 650 2168.89 7.230 535 2146.50 7.155 601 2144.88 7.150 596 2138.86 7.130 396 2137.24 7.124 373
in CDCl3
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2,2',3,5'-TETRACHLOROBIPHENYL(41464-39-5) 13C NMR Atlas of Related Products