544-13-8

Glutaronitrile(544-13-8) IR1

Product NameGlutaronitrile

CAS 544-13-8

Molecular FormulaC5H6N2

Molecular Weight94.11

InChIInChI=1S/C5H6N2/c6-4-2-1-3-5-7/h1-3H2

InChIKey ZTOMUSMDRMJOTH-UHFFFAOYSA-N

SmilesC(#N)CCCC#N

Request For Quotation

Glutaronitrile(544-13-8) IR1
Mass

MS-NW-4216          
glutaronitrile
C5H6N2              (Mass of molecular ion:     94)

   Source Temperature: 240 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       1.5
      26.0       6.8
      27.0      19.4
      28.0      27.3
      37.0       3.4
      38.0       4.6
      39.0       8.1
      40.0      10.8
      41.0     100.0
      42.0       3.5
      51.0       4.1
      52.0       9.9
      53.0       2.0
      54.0      97.2
      55.0       3.4
      63.0       1.4
      64.0       2.4
      65.0       1.1
      66.0       4.8

90 MHz in CDCl3

Glutaronitrile(544-13-8) IR1

¹H NMR	89.56 MHz
C₅ H₆ N₂	0.02 ml : 0.5 ml CDCl₃
glutaronitrile

    Assign.     Shift(ppm)

      A             2.561
      B             2.061

     Hz     ppm     Int.

    237.81   2.656    137
    236.63   2.643    166
    235.69   2.632     86
    232.00   2.591     82
    229.75   2.566   1000
    223.75   2.499    308
    222.94   2.490    247
    222.13   2.481    118
    190.69   2.130    177
    189.81   2.120    171
    183.81   2.053    204
    183.06   2.044    132
    182.50   2.038    121
    176.94   1.976     98
    175.75   1.963    107

in CDCl3