2-METHYLBUTYRONITRILE(18936-17-9) IR2

Product Name2-METHYLBUTYRONITRILE

CAS 18936-17-9

Molecular FormulaC5H9N

Molecular Weight83.13

InChIInChI=1S/C5H9N/c1-3-5(2)4-6/h5H,3H2,1-2H3

InChIKey RCEJCSULJQNRQQ-UHFFFAOYSA-N

SmilesC(#N)C(C)CC

Request For Quotation

Mass

MS-NW-1030          
2-methylbutyronitrile
C5H9N               (Mass of molecular ion:     83)

   Source Temperature: 250 °C
   Sample Temperature: 130 °C
   Reservoir, 75 eV

      15.0       1.4
      18.0       1.0
      26.0       3.1
      27.0      14.3
      28.0       6.0
      29.0      24.4
      38.0       1.2
      39.0       5.7
      40.0       1.4
      41.0       8.6
      42.0       1.3
      51.0       1.5
      52.0       2.6
      53.0       1.5
      54.0      37.8
      55.0     100.0
      56.0       4.7
      68.0       1.3
      82.0       1.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₅ H₉ N	0.04 ml : 0.5 ml CDCl₃
2-methylbutyronitrile

    Assign.     Shift(ppm)

      A             2.552
      B             1.63
      C             1.316
      D             1.08

     Hz     ppm     Int.

    233.69   2.610     96
    226.56   2.530    118
    219.38   2.450     70
    153.56   1.715    127
    153.13   1.710    135
    146.94   1.641    112
    145.81   1.629    204
    139.88   1.562     81
    139.00   1.553    211
    121.00   1.352   1000
    114.00   1.273    818
    104.31   1.165    164
    103.44   1.155    298
    102.63   1.146    212
     96.75   1.081    541
     95.88   1.071    269
     94.94   1.061    137
     89.88   1.004     87
     88.88   0.993    157
     87.50   0.977    102

in CDCl3