2,3,4,5-四氯联苯(33284-53-6)核磁图(1HNMR)
InChI:InChI=1S/C12H6Cl4/c13-9-6-8(7-4-2-1-3-5-7)10(14)12(16)11(9)15/h1-6H
InChIKey: HLQDGCWIOSOMDP-UHFFFAOYSA-N
Smiles:C1(C2=CC=CC=C2)=CC(Cl)=C(Cl)C(Cl)=C1Cl
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Parameter ppm Hz
D(A) 7.384
D(B) 7.360
D(C) 7.432
D(D) 7.408
J(B,B') 1.96
J(B,C) 7.77
J(B,C') 0.59
J(B,D) 1.24
J(B',C) 0.59
J(B',C') 7.77
J(B',D) 1.24
J(C,C') 1.40
J(C,D) 7.54
J(C',D) 7.54
YANAGISAWA,M. MAGN.RESON.CHEM. 25, 184 (1987)
Spectral Code: 1H NMR : parameter in CDCl3
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ppm Int. Assign.
140.93 144 1
137.50 163 2
133.59 95 3
131.73 161 4
131.60 102 5
131.06 109 6
129.56 502 7
128.75 1000 8
128.22 523 9
128.03 949 10
Spectral Code: 13C NMR : in CDCl3