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Back ChemicalBook Home>CAS DataBase List>930-36-9More Spectrum> 1-Methylpyrazole(930-36-9) IR1

930-36-9

1-Methylpyrazole(930-36-9) IR1

Product Name1-Methylpyrazole

CAS930-36-9

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

  • 1-Methylpyrazole(930-36-9) 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

  • 1-Methylpyrazole(930-36-9) IR1

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

  • 1-Methylpyrazole(930-36-9) IR1

liquid film

  • 1-Methylpyrazole(930-36-9) IR1

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