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2423-66-7

喹多克辛(2423-66-7)核磁图(1HNMR)

产品名称:喹多克辛

CAS:2423-66-7

分子式:C8H6N2O2

分子量: 162.15

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

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