Product Name(1Z,3Z)-1,4-Dicyano-2-methyl-1,3-butadiene

CAS

Molecular FormulaC7H6N2

Molecular Weight118.13594

InChIInChI=1S/C7H6N2/c1-7(4-6-9)3-2-5-8/h2-4H,1H3/b3-2-,7-4-

InChIKey RIMIOHDYJFNKSS-JXPISWCDSA-N

SmilesC(/C#N)=C(\C)/C=C\C#N

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¹HNMR

    Parameter     ppm  Hz

      D(A)         5.80
      D(B)         7.32
      D(C)         5.65
      D(D)         2.40
       J(A,B)         12.0
       J(A,C)          1.2
       J(A,D)          0.0
       J(B,C)         -0.5
       J(B,D)          0.0
       J(C,D)          1.6
     
     HALL,J.H. & PATTERSON,E. J.AM.CHEM.SOC. 89, 5856 (1967)
     J(B,C) MAY BE NEGATIVE AND LESS THAN 0.5 HZ.

Spectral Code: 1H NMR : parameter in CDCl3

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