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Back ChemicalBook Home>CAS DataBase List>2459-09-8More Spectrum> Methyl isonicotinate(2459-09-8) 13C NMR

2459-09-8

Methyl isonicotinate(2459-09-8) 13C NMR

Molecular FormulaC7H7NO2

Molecular Weight137.14

InChIInChI=1S/C7H7NO2/c1-10-7(9)6-2-4-8-5-3-6/h2-5H,1H3

InChIKey OLXYLDUSSBULGU-UHFFFAOYSA-N

SmilesC1=NC=CC(C(OC)=O)=C1

  • Methyl isonicotinate(2459-09-8) <sup>13</sup>C NMR
    Mass

    MS-NW-3013          
    methyl isonicotinate
    C7H7NO2             (Mass of molecular ion:    137)
    

       Source Temperature: 270 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       7.7
          26.0       1.7
          28.0       2.9
          29.0       1.7
          37.0       1.1
          38.0       1.6
          39.0       2.3
          49.0       2.2
          50.0      17.3
          51.0      43.8
          52.0       4.8
          53.0       1.3
          59.0       3.9
          66.0       1.0
          75.0       1.0
          76.0       1.5
          77.0       2.0
          78.0      80.7
          79.0       5.8
          93.0       1.8
         106.0     100.0
         107.0       7.6
         108.0       1.3
         119.0       1.7
         136.0       1.1
         137.0      84.8
         138.0       6.9
    

90 MHz in CDCl3

  • Methyl isonicotinate(2459-09-8) <sup>13</sup>C NMR

    1H NMR 89.56 MHz
    C7 H7 N O2 0.04 ml : 0.5 ml CDCl3
    methyl isonicotinate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.78 B 7.84 C 3.961

         Hz     ppm     Int.
    

        789.50   8.816     73
        787.88   8.798     38
        785.13   8.767     43
        783.50   8.749     84
        705.13   7.874    109
        703.50   7.856     57
        700.75   7.825     46
        699.13   7.807     97
        354.75   3.962   1000
    

in CDCl3

  • Methyl isonicotinate(2459-09-8) <sup>13</sup>C NMR

liquid film

  • Methyl isonicotinate(2459-09-8) <sup>13</sup>C NMR

  • Methyl isonicotinate(2459-09-8) <sup>13</sup>C NMR

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