4553-62-2

甲基戊二腈(4553-62-2)质谱(MS)

产品名称:甲基戊二腈

CAS:4553-62-2

分子式:C6H8N2

分子量: 108.14

InChI:InChI=1S/C6H8N2/c1-6(5-8)3-2-4-7/h6H,2-3H2,1H3

InChIKey: FPPLREPCQJZDAQ-UHFFFAOYSA-N

Smiles:C(#N)C(C)CCC#N

¹HNMR

IR1

Raman

Mass

MS-NW-3169          
2-methylglutaronitrile
C6H8N2              (Mass of molecular ion:    108)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       2.6
      26.0       6.5
      27.0      15.3
      28.0      16.2
      29.0       1.1
      37.0       2.5
      38.0       3.5
      39.0      11.6
      40.0       7.3
      41.0      70.0
      42.0       5.6
      50.0       1.5
      51.0       4.9
      52.0      11.8
      53.0       7.4
      54.0      63.9
      55.0      37.0
      56.0       1.9
      63.0       1.0
      64.0       2.5
      65.0       1.2
      66.0       7.5
      67.0       2.0
      68.0     100.0
      69.0       4.8
      79.0       3.6
      80.0       6.8
      81.0       1.1
     107.0       2.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₈ N₂	0.05 ml : 0.5 ml CDCl₃
2-methylglutaronitrile

    Assign.     Shift(ppm)

      A             2.81
      B             2.567
      C             1.959
      D             1.384

     Hz     ppm     Int.

    264.19   2.950     62
    256.94   2.869    123
    249.88   2.791    141
    242.63   2.710     89
    238.31   2.661    148
    237.13   2.648    144
    235.75   2.633     54
    231.44   2.585    217
    230.50   2.574    337
    229.94   2.568    301
    223.25   2.493    432
    185.69   2.074    143
    184.94   2.065    144
    178.25   1.991    341
    174.75   1.952     31
    170.81   1.908    232
    170.13   1.900    198
    164.19   1.834     71
    162.81   1.818     69
    127.31   1.422   1000
    120.25   1.343    868

liquid film