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Molecular FormulaC7H6N2O

Molecular Weight134.13534

InChIInChI=1S/C7H6N2O/c1-5-7-6(2-3-10-7)4-8-9-5/h2-4H,1H3

InChIKey QREXIEXTNJCZCE-UHFFFAOYSA-N

SmilesC1(C)=NN=CC2C=COC1=2



  •     Parameter     ppm  Hz
    D(A) 9.36 D(B) 7.82 D(C) 6.89 J(A,B) 0.0 J(A,C) 0.0 J(B,C) 2.2 D(D) 2.91 ROBBA,M. & ZALUSKI,M.-C. BULL.SOC.CHIM.FR. 1968, 4959
    Spectral Code: 1H NMR : parameter in CDCl3

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