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Molecular FormulaC6H6N2O

Molecular Weight122.12464

InChIInChI=1S/C6H6N2O/c1-4-2-3-5(8-7)6(4)9/h2H,3H2,1H3

InChIKey HOJNJBINOQNDBC-UHFFFAOYSA-N

SmilesC1(=O)C(=[N+]=[N-])CC=C1C



  •     Parameter     ppm  Hz
    D(A) 6.71 D(B) 3.57 D(C) 1.80 J(A,B) 2.2 J(A,C) 1.9 J(B,C) 2.2 DEPUY,C.H. ET AL. J.CHEM.ENG.DATA 11, 102 (1966)
    Spectral Code: 1H NMR : parameter in CCl4

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