1-Methylpyrazole(930-36-9) MS

Product Name1-Methylpyrazole

CAS 930-36-9

Molecular FormulaC4H6N2

Molecular Weight82.1

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

InChIKey UQFQONCQIQEYPJ-UHFFFAOYSA-N

SmilesN1(C)C=CC=N1

Request For Quotation

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-1321          
1-methylpyrazole
C4H6N2              (Mass of molecular ion:     82)

   Source Temperature: 230 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      15.0       3.3
      26.0       3.0
      27.0       3.4
      28.0      11.0
      29.0       2.7
      30.0       1.5
      38.0       1.6
      39.0       2.3
      40.0       4.3
      41.0       2.5
      42.0      11.0
      51.0       1.7
      52.0       4.4
      53.0       8.7
      54.0      18.6
      55.0       3.3
      81.0      41.1
      82.0     100.0
      83.0       6.3

parameter in CDCl3

¹H NMR	300 MHz
C₄ H₆ N₂	ca 5 wt% in CDCl₃
1-methylpyrazole

    Parameter     ppm  Hz

      D(A)         7.33
      D(B)         6.23
      D(C)         7.55
       J(A,B)          2.0
       J(A,C)          0.7
       J(B,C)          2.2
     
      D(D)         3.88
     
     TENSMEYER,L.G. & AINSWORTH,C. J.ORG.CHEM. 31, 1878 (1966)

     Hz     ppm     Int.

   2266.41   7.555    106
   2265.80   7.553    111
   2264.22   7.547    110
   2263.64   7.545    109
   2200.33   7.334    107
   2199.68   7.332    110
   2198.34   7.328    114
   2197.72   7.326    108
   1871.10   6.237     90
   1868.98   6.230    160
   1866.93   6.223     88
   1164.00   3.880   1000