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(+)-Griseofulvin

Product Name (+)-Griseofulvin

CAS126-07-8

MFC17H17ClO6

MW352.77

¹³CNMR

Mass

MS-IW-1186          
(+)-griseofulvin
C17H17ClO6          (Mass of molecular ion:    352)

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

      15.0       4.2
      27.0       4.0
      28.0       1.1
      29.0       1.0
      39.0       7.6
      40.0       1.7
      41.0      10.0
      42.0       1.4
      43.0       3.6
      50.0       1.9
      51.0       4.7
      52.0       3.3
      53.0      10.6
      55.0       4.8
      59.0       7.4
      61.0       1.3
      62.0       2.2
      63.0       3.6
      64.0       1.7
      65.0       7.0
      66.0       4.8
      67.0       5.6
      68.0       1.2
      69.0      31.1
      70.0       1.3
      72.0       1.1
      73.0       2.2
      74.0       1.6
      75.0       4.6
      76.0       1.1
      77.0       8.6
      78.0       2.3
      79.0       3.9
      80.0       2.1
      81.0       1.1
      83.0       1.9
      84.0       2.1
      85.0       1.8
      86.0       1.1
      87.0       1.9
      89.0       1.9
      90.0       1.5
      91.0       1.6
      93.0       2.6
      94.0       1.2
      95.0       8.0
      96.0       2.4
      97.0       4.7
      98.0       1.3
      99.0       3.3
     100.0       1.6
     101.0       1.5
     102.0       1.2
     103.0       3.3
     105.0       1.7
     106.0       1.1
     107.0       1.4
     108.0       1.1
     109.0       6.0
     110.0       5.2
     111.0       2.1
     112.0       2.1
     113.0       2.2
     115.0       2.4
     117.0       1.0
     121.0       1.7
     123.0      10.3
     124.0       1.9
     125.0       3.2
     126.0       3.7
     127.0       5.6
     128.0       1.3
     129.0       3.0
     131.0       1.1
     133.0       2.4
     135.0       2.6
     136.0       1.3
     137.0       3.8
     138.0      81.9
     139.0       9.3
     140.0      17.8
     141.0       6.1
     142.0       7.2
     143.0       3.4
     144.0       1.1
     145.0       1.6
     149.0       1.5
     150.0       1.1
     151.0       1.6
     152.0       3.6
     153.0       2.2
     155.0       3.3
     156.0       2.2
     157.0       2.3
     158.0       1.0
     159.0       1.5
     161.0       1.1
     163.0       1.2
     164.0       1.8
     165.0       3.9
     166.0       1.0
     167.0       1.9
     168.0       7.9
     169.0       4.2
     170.0       4.1
     171.0      13.7
     172.0       3.5
     173.0       4.8
     174.0       1.4
     176.0       1.6
     177.0       1.1
     178.0       1.1
     179.0       2.6
     180.0       1.6
     181.0       2.2
     182.0       1.0
     183.0       3.9
     184.0       2.7
     185.0       4.1
     186.0       3.3
     187.0       2.2
     188.0       2.5
     189.0       1.2
     190.0       1.1
     193.0       1.4
     194.0       1.1
     195.0       1.7
     196.0       1.3
     197.0       9.0
     198.0       2.2
     199.0       4.6
     200.0       4.8
     201.0      13.8
     202.0       3.1
     203.0       5.1
     204.0       1.0
     205.0       1.1
     207.0       1.5
     208.0       1.3
     209.0       2.8
     210.0       1.8
     211.0       3.4
     212.0       1.5
     213.0       2.9
     214.0      55.4
     215.0      56.5
     216.0      24.0
     217.0      19.3
     218.0       2.6
     219.0       1.1
     221.0       2.2
     222.0       2.4
     223.0       3.4
     224.0       2.6
     225.0       6.1
     226.0       2.0
     227.0       2.8
     228.0       2.5
     229.0       1.5
     230.0       1.1
     234.0       5.6
     235.0       3.1
     236.0       5.7
     237.0       8.6
     238.0       3.9
     239.0      11.1
     240.0       4.0
     241.0       4.4
     242.0       1.8
     243.0       1.4
     249.0       2.4
     250.0       3.9
     251.0       5.2
     252.0       8.1
     253.0      14.2
     254.0      23.8
     255.0      10.5
     256.0       8.1
     257.0       3.2
     258.0       1.4
     259.0       1.0
     263.0       1.8
     264.0       1.3
     265.0       2.7
     266.0       4.5
     267.0      11.9
     268.0       3.9
     269.0       9.4
     270.0       1.8
     271.0       3.3
     273.0       1.2
     276.0       1.7
     277.0       2.5
     278.0       1.8
     279.0       2.6
     280.0       2.1
     281.0       5.4
     282.0      14.5
     283.0       8.5
     284.0      30.4
     285.0       6.6
     286.0       9.7
     287.0       3.3
     291.0       1.5
     292.0       1.6
     293.0       4.9
     294.0       2.0
     295.0       8.5
     296.0       1.9
     297.0       2.6
     305.0       1.3
     306.0       1.7
     307.0       1.5
     308.0       1.2
     309.0       5.1
     310.0      87.2
     311.0      22.4
     312.0      30.8
     313.0       7.3
     314.0       1.1
     317.0       1.8
     318.0       2.0
     319.0       1.6
     320.0       1.1
     321.0      49.6
     322.0      10.7
     323.0      19.5
     324.0       5.2
     325.0       1.6
     335.0       3.1
     336.0       1.1
     337.0      13.2
     338.0       2.6
     339.0       4.3
     351.0       1.0
     352.0     100.0
     353.0      20.2
     354.0      34.7
     355.0       6.6
     356.0       1.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₇ H₁₇ Cl O₆	saturated in CDCl₃
(+)-griseofulvin

    Assign.     Shift(ppm)

      A             6.151
      B             5.542
      C     *1      4.041
      D     *1      3.988
      E     *1      3.623
      F     *2      3.025
      G             2.844
      J     *2      2.430
      K             0.964
     
     J(F,J)=16.6HZ
     J(F,G)=13.4HZ
     J(G,J)=4.6HZ

     Hz     ppm     Int.

   2458.37   6.152    314
   2215.09   5.543    284
   1615.23   4.042   1000
   1594.12   3.989   1000
   1448.00   3.624    967
   1225.59   3.067     59
   1212.16   3.034     81
   1208.98   3.026     68
   1195.56   2.992     94
   1148.68   2.875     33
   1144.04   2.863     37
   1141.97   2.858     40
   1137.33   2.846     44
   1135.38   2.841     35
   1130.62   2.830     34
    981.57   2.457     69
    976.93   2.445     70
    964.97   2.415     65
    960.33   2.403     60
    388.79   0.973    419
    382.08   0.957    423

in CDCl3

KBr disc

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