Product Name2,2'-(2-Octadecylcyclohexa-2,5-diene-1,4-diylidene)bis(malononitrile)

CAS

Molecular FormulaC30H40N4

Molecular Weight456.6654

InChIInChI=1S/C30H40N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-21-26(28(22-31)23-32)19-20-30(27)29(24-33)25-34/h19-21H,2-18H2,1H3

InChIKey WUEYJZLDLWXWLH-UHFFFAOYSA-N

SmilesC1(=C(C#N)C#N)C=CC(=C(C#N)C#N)C=C1CCCCCCCCCCCCCCCCCC |c:0,8|

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¹HNMR

¹³CNMR

    Assign.     Shift(ppm)

      A             7.619
      B             7.439
      C             7.25
      D             3.004
      E             1.65
      F             1.46
      G             1.35
      J             1.26
      K             0.880
     
     J(A,B)=9.7HZ. J(B,C)=2.0HZ.

Spectral Code: 1H NMR : 400 MHz in CDCl3

       ppm   Int.  Assign.

      150.85   148      1
      150.10   140      2
      146.03   162      3
      134.15   179      4
      129.99   183      5 *
      129.75   169      6 *
      113.42    92      7 #
      112.93    88      8 #
      111.82   100      9 #
                       10 #
       88.49   132     11 *1
       87.78   118     12 *1
       34.24   169     13
       31.93   196     14
       30.30   156     15
       29.70  1000     16 #1
       29.43   206     17 #1
       29.36   248     18 #1
       29.30   198     19 #1
       28.92   174     20
       22.70   193     21
       14.21   172     22

Spectral Code: 13C NMR : in CDCl3

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