酚嗪二氮氧化物(303-83-3)ESR图谱
InChI:InChI=1S/C12H8N2O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H
InChIKey: ZMFJCQAPRNRDSK-UHFFFAOYSA-N
Smiles:C1C2=C([N+]([O-])=C3C(=[N+]2[O-])C=CC=C3)C=CC=1
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Parameter ppm Hz
D(A) 8.733
D(B) 7.823
J(A,A') 0.65
J(A,B) 9.02
J(A,B') 1.23
J(A',B) 1.23
J(A',B') 9.02
J(B,B') 6.87
LIMBACH,H.H. ET AL. BER.BUNSENGES.PHYS.CHEM. 74, 966 (1970)
Spectral Code: 1H NMR : parameter in CDCl3
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Spectral Code: ESR : CATION RADICAL, ELECTROLYTIC OXIDATION IN CH3CN