Gibberellic acid(77-06-5) 13C NMR

Mass

MS-NW-8567          
gibberellic acid
C19H22O6            (Mass of molecular ion:    346)

   Source Temperature: 220 °C
   Sample Temperature: 200 °C
   Direct, 75 eV

      17.0       2.1
      18.0      10.8
      27.0      11.8
      28.0       7.5
      29.0      12.9
      31.0       3.4
      36.0       1.2
      39.0      18.5
      40.0       7.3
      41.0      32.2
      42.0       3.1
      43.0      40.8
      44.0      13.2
      45.0       3.9
      50.0       1.7
      51.0       8.8
      52.0       3.6
      53.0      16.1
      54.0       2.5
      55.0      36.7
      56.0       3.5
      57.0       8.0
      58.0       1.0
      63.0       4.2
      64.0       2.4
      65.0      14.5
      66.0       4.8
      67.0      11.8
      68.0       4.8
      69.0      15.5
      70.0       2.6
      71.0       4.7
      73.0       1.3
      75.0       1.9
      76.0       2.7
      77.0      32.3
      78.0       9.6
      79.0      23.5
      80.0       4.4
      81.0      10.9
      82.0       4.1
      82.5       1.0
      83.0       8.5
      84.0       5.9
      85.0       6.2
      86.0       1.4
      87.0       1.4
      89.0       5.3
      90.0       2.9
      91.0      39.2
      92.0       7.3
      93.0      11.6
      94.0       5.4
      95.0      22.8
      96.0       5.8
      97.0       6.0
      98.0       5.0
      99.0       4.8
     100.0       1.4
     101.0       2.1
     102.0       2.9
     103.0       8.6
     104.0       4.8
     105.0      21.6
     106.0       5.7
     107.0      18.5
     108.0      14.2
     109.0      18.8
     110.0       3.1
     111.0       8.7
     112.0       3.7
     113.0       2.5
     114.0       2.1
     115.0      23.8
     116.0       8.1
     117.0      13.2
     118.0       5.1
     119.0      12.1
     120.0       5.3
     121.0      54.2
     122.0      19.3
     123.0       6.5
     124.0       3.7
     125.0       1.9
     126.0       1.7
     127.0      12.3
     128.0      21.5
     129.0      19.4
     130.0       6.0
     131.0      14.3
     132.0       6.2
     133.0      13.5
     134.0      19.7
     135.0      31.1
     136.0     100.0
     137.0      24.9
     138.0       3.0
     139.0       3.7
     140.0       1.7
     141.0      17.1
     142.0      12.3
     143.0      14.7
     144.0       8.7
     145.0      16.8
     146.0       5.8
     147.0      11.5
     148.0       6.5
     149.0      14.2
     150.0       7.5
     151.0      11.7
     152.0      28.6
     153.0      23.4
     154.0       7.7
     155.0      22.9
     156.0      14.4
     157.0      16.8
     158.0       7.9
     159.0      13.1
     160.0       5.4
     161.0       9.8
     162.0       3.5
     163.0      10.7
     164.0       4.6
     165.0      15.8
     166.0       8.4
     167.0       9.3
     168.0       5.6
     169.0      15.4
     170.0       6.2
     171.0      13.8
     172.0      10.0
     173.0      14.5
     174.0       7.3
     175.0       8.5
     176.0       5.6
     177.0       5.5
     178.0       6.6
     179.0      12.5
     180.0       7.4
     181.0      15.7
     182.0       7.9
     183.0      12.3
     184.0       5.4
     185.0      15.6
     186.0       6.3
     187.0       8.4
     188.0       5.1
     189.0       9.2
     190.0       7.1
     191.0      10.7
     192.0       6.2
     193.0      11.0
     194.0       7.0
     195.0      21.4
     196.0       9.1
     197.0      14.8
     198.0       7.3
     199.0      13.0
     200.0      10.9
     201.0       9.6
     202.0      17.1
     203.0      23.2
     204.0       5.6
     205.0       4.5
     206.0       4.0
     207.0       6.1
     208.0       4.4
     209.0      28.3
     210.0      12.5
     211.0      15.8
     212.0       7.1
     213.0      13.5
     214.0       5.8
     215.0       7.8
     216.0       7.4
     217.0       5.9
     218.0       5.3
     219.0      15.2
     220.0       9.3
     221.0      11.9
     222.0       5.2
     223.0      15.6
     224.0       7.2
     225.0      16.8
     226.0      10.9
     227.0      16.6
     228.0       8.0
     229.0       6.8
     230.0       4.4
     231.0       6.3
     232.0       3.0
     233.0       2.2
     234.0       1.1
     235.0       1.7
     236.0       3.7
     237.0      27.9
     238.0      21.6
     239.0      25.4
     240.0      11.4
     241.0      14.0
     242.0       8.2
     243.0      10.3
     244.0      11.9
     245.0       8.9
     246.0       2.4
     247.0       1.5
     248.0       1.2
     249.0       2.1
     251.0       3.6
     252.0       1.4
     253.0       6.7
     254.0      13.2
     255.0      26.4
     256.0      18.0
     257.0       9.0
     258.0       7.4
     259.0       4.0
     260.0       2.0
     261.0       2.5
     262.0       1.8
     264.0       3.8
     265.0       7.7
     266.0      11.8
     267.0       8.0
     268.0       4.1
     269.0       9.8
     270.0       3.0
     271.0       7.2
     272.0      10.8
     273.0       9.0
     274.0       3.9
     275.0       1.1
     281.0       2.8
     282.0      22.5
     283.0      29.4
     284.0      41.7
     285.0      14.6
     286.0       5.8
     287.0       6.0
     288.0       1.6
     289.0       2.5
     290.0       4.1
     291.0       1.1
     292.0       1.6
     295.0       2.5
     299.0       4.6
     300.0      43.5
     301.0      21.9
     302.0      15.0
     303.0       4.4
     304.0       1.3
     305.0       1.2
     310.0      14.8
     311.0       3.6
     312.0       1.7
     313.0       2.9
     317.0       6.0
     318.0       3.8
     319.0       1.0
     328.0      44.9
     329.0      10.0
     330.0      11.4
     331.0       4.5
     346.0      26.5
     347.0       5.7
     348.0       4.6

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₉ H₂₂ O₆	0.036 g : 0.5 ml DMSO-d₆
gibberellic acid

    Assign.     Shift(ppm)

      A            12.6
      B             6.334
      C             5.800
      D             5.58
      E     *1      5.127
      F             4.87
      G     *1      4.85
      J             3.874
      K             3.075
      L             2.50
      M     *2      2.18
      N     *2      2.15
      P     *3      1.91
      Q     *3      1.86
      R     *4      1.72
      S          1.77 to 1.460
      T     *4      1.63
      U             1.071
     
     J(B,C)=9.3HZ. J(C,J)=3.7HZ.
     J(D,J)=6.6HZ. J(K,L)=10.8HZ.
     ASSIGNED BY H-H COSY.

     Hz     ppm     Int.

   2536.49   6.347    122
   2536.12   6.346    124
   2526.78   6.323    139
   2324.20   5.816    100
   2320.54   5.807     96
   2314.86   5.793     89
   2311.19   5.784     93
   2234.45   5.592    102
   2227.85   5.575    102
   2049.08   5.128    114
   1944.13   4.865    196
   1939.92   4.855    139
   1552.89   3.886     59
   1549.41   3.877     66
   1546.66   3.871     66
   1543.18   3.862     57
   1234.73   3.090    154
   1223.92   3.063    168
   1011.99   2.533     32
   1005.58   2.517    329
   1003.75   2.512    676
   1001.92   2.507   1000
   1000.09   2.503    636
    998.26   2.498    289
    991.30   2.481    149
    867.66   2.172    105
    864.73   2.164     90
    861.98   2.157    101
    772.23   1.933     38
    764.90   1.914     54
    763.62   1.911     46
    762.89   1.909     47
    762.34   1.908     45
    758.49   1.898     41
    755.74   1.892     31
    755.20   1.890     32
    754.83   1.889     33
    754.28   1.888     33
    752.81   1.884     36
    751.90   1.882     38
    751.53   1.881     38
    750.80   1.879     37
    749.70   1.876     33
    749.15   1.875     32
    748.24   1.873     33
    747.50   1.871     35
    747.14   1.870     35
    744.39   1.863     68
    742.37   1.858     41
    740.73   1.854     48
    740.36   1.853     47
    733.95   1.837     54
    695.12   1.740     52
    694.57   1.738     52
    693.65   1.736     52
    684.13   1.712     97
    674.24   1.688     35
    673.69   1.686     33
    668.74   1.674     37
    663.43   1.661    173
    659.58   1.651     58
    652.81   1.634    149
    648.78   1.624    168
    642.18   1.607     54
    641.82   1.606     55
    641.45   1.606     55
    637.97   1.597     32
    637.60   1.596     33
    637.24   1.595     33
    433.74   1.086     50
    428.06   1.072    767

in DMSO-d6

KBr disc