PYRITHYLDIONE(77-04-3) ¹³C NMR

Mass

MS-NW-9045          
3,3-diethyl-2,4(1H,3H)-pyridinedione
C9H13NO2            (Mass of molecular ion:    167)

   Source Temperature: 260 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      18.0       1.1
      27.0       5.1
      28.0       5.3
      29.0       6.9
      39.0       6.1
      40.0       3.3
      41.0      13.7
      42.0       6.5
      43.0       2.1
      53.0       4.0
      54.0       1.6
      55.0      38.4
      56.0       2.1
      65.0       1.6
      67.0       2.2
      68.0       2.7
      69.0       6.9
      70.0      48.6
      71.0       2.1
      82.0       1.1
      83.0      95.8
      84.0       5.3
      92.0       1.0
      96.0       4.1
      97.0       4.4
      98.0      82.8
      99.0       5.5
     120.0       1.8
     124.0      12.8
     125.0       1.0
     138.0      11.8
     139.0     100.0
     140.0       8.2
     150.0       3.0
     152.0      27.9
     153.0       2.7
     167.0      12.2
     168.0       1.4

Parameter ppm Hz D(A) 7.30 D(B) 5.64 D(C) 9.55 J(A,B) 8.0 J(A,C) 6.0 J(B,C) 1.3 D(D) 1.98 D(E) 0.85 J(D,E) 7.5 OSTERCAMP,D.L. J.ORG.CHEM. 30, 1169 (1965)

     Hz     ppm     Int.

   2868.66   9.562     93
   2867.45   9.558     93
   2862.70   9.542     94
   2861.41   9.538     94
   2197.04   7.323     86
   2190.99   7.303     88
   2189.13   7.297     92
   2183.09   7.277     87
   1696.58   5.655     95
   1695.37   5.651     95
   1688.60   5.629     92
   1687.39   5.625     92
    605.37   2.018    138
    597.87   1.993    455
    590.37   1.968    490
    582.95   1.943    170
    262.38   0.875    501
    254.96   0.850   1000
    247.46   0.825    443