CIS,CIS-MUCONONITRILE(1557-59-1) Raman

Product NameCIS,CIS-MUCONONITRILE

CAS 1557-59-1

Molecular FormulaC6H4N2

Molecular Weight104.11

InChIInChI=1S/C6H4N2/c7-5-3-1-2-4-6-8/h1-4H/b3-1-,4-2-

InChIKey QLQYLCRMTTXKHS-CCAGOZQPSA-N

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

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¹HNMR

IR1

Raman

    Parameter     ppm  Hz

      D(A)         5.70
      D(B)         7.30
       J(A,A')         0.6
       J(A,B)         11.2
       J(A,B')        -1.2
       J(A',B)        -1.2
       J(A',B')       11.2
       J(B,B')        12.1
     
     HALL,J.H. & PATTERSON,E. J.AM.CHEM.SOC. 89, 5856 (1967)

Spectral Code: 1H NMR : parameter in CDCl3

Spectral Code: IR : nujol mull

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