Methyl isonicotinate(2459-09-8) Raman

Product NameMethyl isonicotinate

CAS 2459-09-8

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

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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

¹H NMR	89.56 MHz
C₇ H₇ N O₂	0.04 ml : 0.5 ml CDCl₃
methyl isonicotinate

    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