2,4,6-三氯聯(lián)苯(35693-92-6)核磁圖(1HNMR)
InChI:InChI=1S/C12H7Cl3/c13-9-6-10(14)12(11(15)7-9)8-4-2-1-3-5-8/h1-7H
InChIKey: MTLMVEWEYZFYTH-UHFFFAOYSA-N
Smiles:C1(C2=CC=CC=C2)=C(Cl)C=C(Cl)C=C1Cl
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Parameter ppm Hz
D(A) 7.410
D(B) 7.217
D(C) 7.443
D(D) 7.406
J(B,B') 1.87
J(B,C) 7.71
J(B,C') 0.64
J(B,D) 1.25
J(B',C) 0.64
J(B',C') 7.71
J(B',D) 1.25
J(C,C') 1.36
J(C,D) 7.55
J(C',D) 7.55
YANAGISAWA,M. ET AL. MAGN.RESON.CHEM. 25, 184 (1987)
Spectral Code: 1H NMR : parameter in CDCl3
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ppm Int. Assign.
138.04 113 1
135.75 138 2
135.31 246 3
133.57 149 4
129.18 870 5
128.01 608 6
127.98 993 7 *
127.74 1000 8 *
Spectral Code: 13C NMR : in CDCl3