1,4-DICYANO-2-BUTENE(1119-85-3) ¹H NMR

Product Name1,4-DICYANO-2-BUTENE

CAS 1119-85-3

Molecular FormulaC6H6N2

Molecular Weight106.13

InChIInChI=1S/C6H6N2/c7-5-3-1-2-4-6-8/h1-2H,3-4H2

InChIKey BSVZXPLUMFUWHW-UHFFFAOYSA-N

SmilesC(#N)CC=CCC#N

Request For Quotation

Mass

MS-NW-1373          
3-hexenedinitrile
C6H6N2              (Mass of molecular ion:    106)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       1.0
      26.0       5.4
      27.0       6.0
      28.0       3.4
      37.0       4.2
      38.0       5.0
      39.0      26.7
      40.0       5.6
      41.0       4.2
      50.0       3.6
      51.0       7.8
      52.0      14.8
      53.0      10.1
      54.0       6.8
      63.0       1.2
      64.0       4.9
      66.0     100.0
      67.0       4.9
      75.0       1.5
      76.0       1.8
      77.0       1.6
      78.0       4.8
      79.0      17.8
      80.0       1.4
     105.0       1.8
     106.0      19.9
     107.0       1.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₆ N₂	0.047 g : 0.5 ml CDCl₃
3-hexenedinitrile

    Assign.     Shift(ppm)

      A             5.828
      B             3.188

     Hz     ppm     Int.

    525.50   5.868    129
    524.56   5.858    197
    522.88   5.839    226
    521.94   5.828    405
    521.00   5.818    224
    519.44   5.800    222
    518.50   5.790    128
    287.31   3.209   1000
    286.31   3.197    507
    285.63   3.190    389
    284.81   3.181    468
    283.81   3.169   1000
    281.56   3.144     41
    281.00   3.138     36
    280.31   3.130     29
    280.19   3.129     29
    279.75   3.124     30

in CDCl3