4-Benzoylpyridine(14548-46-0) MS

Product Name4-Benzoylpyridine

CAS 14548-46-0

Molecular FormulaC12H9NO

Molecular Weight183.21

InChIInChI=1S/C12H9NO/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h1-9H

InChIKey SKFLCXNDKRUHTA-UHFFFAOYSA-N

SmilesC(C1=CC=CC=C1)(C1C=CN=CC=1)=O

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Mass

MS-NW-0370          
4-benzoylpyridine
C12H9NO             (Mass of molecular ion:    183)

   Source Temperature: 120 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      50.0       5.2
      51.0      19.6
      52.0       1.6
      74.0       1.4
      75.0       1.3
      76.0       2.0
      77.0      41.5
      78.0       9.9
     105.0     100.0
     106.0      10.6
     127.0       1.2
     154.0       1.0
     182.0       1.4
     183.0      55.6
     184.0       7.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₉ N O	0.037 g : 0.5 ml CDCl₃
4-benzoylpyridine

    Assign.     Shift(ppm)

      A             8.816
      B             7.826
      C             7.647
      D             7.584
      E             7.519

     Hz     ppm     Int.

   3529.42   8.832     48
   3526.25   8.824    843
   3524.66   8.820    524
   3521.97   8.813    503
   3520.26   8.809    877
   3133.79   7.842     95
   3132.08   7.838    452
   3131.47   7.836    393
   3130.86   7.835    570
   3125.73   7.822    186
   3123.78   7.817    631
   3122.44   7.813    590
   3066.16   7.673     85
   3064.82   7.669    159
   3063.48   7.666     97
   3059.20   7.655    115
   3057.37   7.651    342
   3055.54   7.646    139
   3051.27   7.635    156
   3049.93   7.632    272
   3048.58   7.629    151
   3034.06   7.592   1000
   3032.35   7.588    605
   3029.66   7.581    569
   3028.08   7.577    979
   3014.40   7.543    115
   3012.82   7.539    446
   3011.23   7.535    221
   3009.03   7.530     53
   3004.88   7.519    595
   3003.66   7.516    237
   2999.15   7.505    131
   2997.56   7.501    292
   2996.95   7.499    232

in CDCl3