3-Methylpyrazole(1453-58-3) ¹³C NMR

Product Name3-Methylpyrazole

CAS 1453-58-3

Molecular FormulaC4H6N2

Molecular Weight82.1

InChIInChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)

InChIKey XKVUYEYANWFIJX-UHFFFAOYSA-N

SmilesN1C=CC(C)=N1

Request For Quotation

Mass

MS-NW-4920          
3-methylpyrazole
C4H6N2              (Mass of molecular ion:     82)

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

      14.0       1.3
      15.0       4.5
      18.0       1.6
      26.0       4.8
      27.0      15.3
      28.0      16.6
      29.0       3.8
      30.0       1.2
      37.0       1.2
      38.0       2.0
      39.0       4.6
      40.0       6.8
      41.0       8.8
      42.0      11.2
      43.0       1.2
      50.0       4.2
      51.0       5.7
      52.0       4.4
      53.0      11.8
      54.0      27.1
      55.0       8.3
      56.0       1.5
      66.0       1.0
      67.0       1.5
      81.0      59.0
      82.0     100.0
      83.0       5.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₄ H₆ N₂	0.02 ml : 0.5 ml CDCl₃
3-methylpyrazole

    Assign.     Shift(ppm)

      A            10.88
      B             7.480
      C             6.057
      D             2.339

     Hz     ppm     Int.

    974.19  10.878    217
    670.81   7.491    124
    668.88   7.469    129
    543.88   6.073    113
    543.25   6.066    123
    542.56   6.059     90
    541.88   6.051    122
    541.31   6.045    120
    210.06   2.346    618
    209.56   2.340   1000
    209.06   2.335    695

in CDCl3