3-ACETOXYPYRIDINE(17747-43-2) ¹³C NMR

Product Name3-ACETOXYPYRIDINE

CAS 17747-43-2

Molecular FormulaC7H7NO2

Molecular Weight137.14

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

InChIKey QZDWODWEESGPLC-UHFFFAOYSA-N

SmilesC1=NC=CC=C1OC(=O)C

Request For Quotation

Mass

MS-NW-9709          
3-pyridyl acetate
C7H7NO2             (Mass of molecular ion:    137)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       2.3
      28.0       1.6
      38.0       2.7
      39.0       9.6
      40.0       3.6
      41.0       2.8
      42.0       1.6
      43.0      57.4
      44.0       1.4
      50.0       1.1
      51.0       1.9
      55.0       1.4
      66.0       3.1
      67.0       5.1
      68.0       4.5
      94.0       1.4
      95.0     100.0
      96.0       7.9
     109.0       5.8
     137.0      21.2
     138.0       3.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₇ N O₂	0.05 ml : 0.5 ml CDCl₃
3-pyridyl acetate

    Assign.     Shift(ppm)

      A             8.464
      B             8.436
      C             7.469
      D             7.307
      E             2.296

     Hz     ppm     Int.

   3385.74   8.472    107
   3384.52   8.469    109
   3381.10   8.461    109
   3379.76   8.457    109
   3372.68   8.440    141
   3370.12   8.433    141
   2991.70   7.486     87
   2990.23   7.483     90
   2989.01   7.480     86
   2987.55   7.476     84
   2983.40   7.466    107
   2981.93   7.462    109
   2980.59   7.459    109
   2979.25   7.455    102
   2926.76   7.324    113
   2926.39   7.323    109
   2922.00   7.312    110
   2921.63   7.311    107
   2918.46   7.303     90
   2917.97   7.302     87
   2913.70   7.291     87
   2913.21   7.290     84
    920.41   2.304     66
    917.60   2.297   1000

in CDCl3