2-ISOBUTYL-3-METHYLPYRAZINE(13925-06-9) ¹³C NMR

Product Name2-ISOBUTYL-3-METHYLPYRAZINE

CAS 13925-06-9

Molecular FormulaC9H14N2

Molecular Weight150.22

InChIInChI=1S/C9H14N2/c1-7(2)6-9-8(3)10-4-5-11-9/h4-5,7H,6H2,1-3H3

InChIKey ZHMIODDNZRIENW-UHFFFAOYSA-N

SmilesC1(C)=NC=CN=C1CC(C)C

Request For Quotation

Mass

MS-NW-7129          
2-isobutyl-3-methylpyrazine
C9H14N2             (Mass of molecular ion:    150)

   Source Temperature: 270 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       1.3
      18.0       1.4
      26.0       3.6
      27.0       6.5
      28.0       2.0
      29.0       1.1
      38.0       1.2
      39.0       9.3
      40.0       4.7
      41.0       9.7
      42.0       8.3
      43.0       6.2
      51.0       1.5
      52.0       2.9
      53.0       3.8
      54.0       1.3
      65.0       1.1
      66.0       3.1
      67.0       9.8
      68.0       1.8
      80.0       2.1
      81.0       1.3
      82.0       2.0
      93.0       3.8
      94.0       2.2
     107.0      10.3
     108.0     100.0
     109.0       7.6
     119.0       1.1
     135.0      14.2
     136.0       1.4
     149.0       3.6
     150.0       3.8

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₄ N₂	0.04 ml : 0.5 ml CDCl₃
2-isobutyl-3-methylpyrazine

    Assign.     Shift(ppm)

      A     *1      8.33
      B     *1      8.28
      C             2.695
      D             2.574
      E             2.22
      F             0.972
     
     J(A,B)=2.7HZ
     J(C,E)=7.1HZ
     J(E,F)=6.5HZ

     Hz     ppm     Int.

    748.19   8.355     73
    745.69   8.327    160
    742.38   8.290    201
    739.75   8.260     83
    245.75   2.744    190
    238.69   2.666    293
    230.56   2.575    787
    227.38   2.539     32
    201.69   2.253     40
    195.00   2.178     48
    188.31   2.103     38
    187.38   2.093     30
     90.13   1.007   1000
     83.63   0.934    847

in CDCl3