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Back ChemicalBook Home>CAS DataBase List>96-54-8More Spectrum> N-Methyl pyrrole(96-54-8) 13C NMR

N-Methyl pyrrole(96-54-8) 13C NMR

Product NameN-Methyl pyrrole

CAS96-54-8

Molecular FormulaC5H7N

Molecular Weight81.12

InChIInChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3

InChIKey OXHNLMTVIGZXSG-UHFFFAOYSA-N

SmilesN1(C)C=CC=C1


  • Mass

    MS-NW-1140          
    1-methylpyrrole
    C5H7N               (Mass of molecular ion:     81)
    

       Source Temperature: 240 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          15.0       4.5
          26.0       2.9
          27.0       7.7
          28.0       2.9
          37.0       2.7
          38.0       4.8
          39.0      22.3
          40.0       4.7
          40.5       3.8
          41.0       3.8
          42.0      23.2
          49.0       1.1
          50.0       4.7
          51.0       6.1
          52.0       4.3
          53.0      26.4
          54.0      11.9
          55.0      14.8
          64.0       1.0
          66.0       2.7
          78.0       5.8
          79.0       1.5
          80.0      72.6
          81.0     100.0
          82.0       5.9
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C5 H7 N 0.04 ml : 0.5 ml CDCl3
    1-methylpyrrole
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.577 B 6.122 C 3.625

         Hz     ppm     Int.
    

        591.31   6.603    113
        589.13   6.579    217
        587.13   6.556    141
        550.31   6.145    182
        548.19   6.121    263
        546.13   6.098    150
        324.69   3.626   1000
    

in CDCl3



liquid film





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