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3-CHLOROBIPHENYL(2051-61-8) 13C NMR
Product Name3-CHLOROBIPHENYL
CAS2051-61-8
Molecular FormulaC12H9Cl
Molecular Weight188.65
InChIInChI=1S/C12H9Cl/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H
InChIKey NMWSKOLWZZWHPL-UHFFFAOYSA-N
SmilesC1(C2=CC=CC=C2)=CC=CC(Cl)=C1
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Parameter ppm Hz
D(A) 7.571 D(B) 7.309 D(C) 7.350 D(D) 7.454 J(A,B) 2.08 J(A,C) 0.39 J(A,D) 1.79 J(B,C) 8.00 J(B,D) 1.03 J(C,D) 7.79 D(E) 7.552 D(F) 7.435 D(G) 7.361 J(E,E') 2.01 J(E,F) 7.86 J(E,F') 0.56 J(E,G) 1.23 J(E',F) 0.56 J(E',F') 7.86 J(E',G) 1.23 J(F,F') 1.44 J(F,G) 7.46 J(F',G) 7.46 YANAGISAWA,M. ET AL. MAGN.RESON.CHEM. 25, 184 (1987)Spectral Code: 1H NMR : parameter in CDCl3
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ppm Int. Assign.
143.29 99 1 140.03 111 2 134.84 119 3 129.98 492 4 128.94 1000 5 127.91 554 6 127.45 578 7 * 127.33 600 8 * 127.21 981 9 125.35 516 10Spectral Code: 13C NMR : in CDCl3