喹多克辛(2423-66-7)ESR圖譜
InChI:InChI=1S/C8H6N2O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H
InChIKey: CKIHZSGJPSDCNC-UHFFFAOYSA-N
Smiles:[N+]1([O-])=C2C(C=CC=C2)=[N+]([O-])C=C1
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Parameter ppm Hz
D(A) 8.227
D(B) 8.599
D(C) 7.881
J(B,B') 0.59
J(B,C) 8.73
J(B,C') 1.26
J(B',C) 1.26
J(B',C') 8.73
J(C,C') 7.01
LIMBACH,H.-H. ET AL. BER.BUNSENGES.PHYS.CHEM. 74, 966 (1970)
SMALL LONG-RANGE COUPLING EXIST BETWEEN H(A) AND H(C).
Spectral Code: 1H NMR : parameter in CDCl3
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Spectral Code: IR : KBr disc
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Spectral Code: ESR : CATION RADICAL, ELECTROXID. IN CH3CN AT -45C