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Chlorendic acid

Product Name Chlorendic acid

CAS115-28-6

MFC9H4Cl6O4

MW388.84

¹³CNMR

Mass

MS-NW-0341          
chlorendic acid
C9H4Cl6O4           (Mass of molecular ion:    386)

   Source Temperature: 170 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      17.0       2.4
      18.0      11.7
      26.0       7.4
      27.0       2.3
      28.0       3.1
      29.0       1.4
      35.0       3.1
      36.0      18.6
      37.0       3.0
      38.0       6.2
      41.0       1.0
      43.0       2.3
      44.0       8.1
      45.0      13.0
      47.0       3.4
      48.0       1.0
      49.0       2.7
      50.0       2.9
      53.0       2.8
      54.0       4.1
      55.0       1.2
      60.0       8.4
      60.5       1.7
      61.0       6.9
      62.0       2.5
      63.0      25.4
      65.0       9.4
      71.0       3.4
      72.0       4.2
      73.0       7.0
      74.0       4.5
      75.0       1.8
      77.0       2.1
      77.5       2.0
      78.0       3.6
      78.5       1.5
      79.0       1.6
      82.0       1.2
      83.0       7.7
      84.0       6.6
      85.0       8.0
      86.0       6.3
      87.0       1.8
      89.0       5.9
      91.0       2.3
      94.0       1.7
      95.0      14.0
      95.5       2.5
      96.0      11.1
      96.5       2.1
      97.0       7.9
      98.0       2.9
      99.0       9.6
     101.0       1.6
     106.0       3.6
     107.0      12.7
     108.0       5.4
     109.0       9.4
     110.0       2.3
     111.0       2.4
     112.0       1.0
     112.5       3.0
     113.0       4.9
     113.5       4.2
     114.0       5.0
     114.5       2.3
     115.0       2.2
     117.0       9.2
     118.0       2.8
     118.5       1.2
     119.0       9.2
     120.0       6.1
     121.0       8.2
     122.0       2.7
     123.0       3.1
     127.0       2.2
     128.0       3.0
     129.0       1.5
     130.0       8.8
     130.5       7.5
     131.0       7.6
     131.5      12.4
     132.0       7.5
     132.5       8.0
     133.0       5.6
     133.5       2.6
     134.0       1.4
     135.0       1.6
     141.0      11.8
     143.0      13.3
     144.0       2.9
     145.0       6.4
     146.0       2.1
     147.0       2.3
     155.0       4.5
     156.0       1.8
     157.0       5.1
     158.0       1.4
     159.0       2.4
     165.0       7.2
     167.0      10.1
     169.0       5.3
     171.0       1.4
     173.0       1.3
     178.0       1.1
     179.0       6.2
     180.0       7.2
     181.0       7.1
     182.0       6.5
     183.0       3.2
     184.0       2.1
     190.0       1.1
     191.0      22.8
     192.0       3.2
     193.0      22.4
     194.0       2.9
     195.0       7.8
     196.0       1.1
     197.0       1.3
     201.0       6.1
     202.0       1.1
     203.0       7.6
     204.0       1.0
     205.0       3.6
     207.0      24.0
     208.0       2.4
     209.0      23.9
     210.0       2.2
     211.0       7.9
     213.0       1.8
     214.0       4.9
     215.0       7.2
     216.0       7.2
     217.0       8.9
     218.0       4.3
     219.0       4.5
     220.0       1.5
     221.0       1.2
     225.0       3.3
     226.0       7.1
     227.0      11.8
     228.0       9.6
     229.0      12.6
     230.0       5.4
     231.0       5.7
     232.0       1.5
     233.0       1.3
     235.0      34.1
     236.0       3.3
     237.0      53.2
     238.0       4.9
     239.0      34.8
     240.0       2.9
     241.0      14.4
     242.0       1.6
     243.0      18.8
     244.0       2.0
     245.0      18.7
     246.0       1.7
     247.0       8.3
     248.0       1.0
     249.0       2.4
     250.0       1.1
     251.0       1.8
     252.0       1.3
     253.0       1.5
     254.0       4.8
     255.0       1.0
     256.0       5.5
     258.0       2.8
     259.0       4.8
     260.0       1.4
     261.0      65.0
     262.0       5.7
     263.0     100.0
     264.0       8.0
     265.0      63.2
     266.0       5.3
     267.0      20.7
     268.0       1.8
     269.0       5.7
     270.0      22.6
     271.0       6.8
     272.0      43.0
     273.0       6.6
     274.0      34.4
     275.0       3.4
     276.0      14.9
     277.0       5.9
     278.0       4.0
     279.0       8.6
     280.0       1.4
     281.0       5.9
     283.0       1.9
     284.0       1.0
     286.0       1.5
     287.0       1.3
     288.0       1.4
     289.0       4.5
     290.0       1.1
     291.0       5.4
     293.0       3.1
     294.0       2.6
     295.0       1.4
     296.0       4.0
     297.0       1.2
     298.0       3.4
     299.0       1.3
     300.0       2.0
     305.0      13.0
     306.0       2.1
     307.0      23.1
     308.0       3.6
     309.0      17.8
     310.0       2.5
     311.0       7.6
     312.0       2.2
     313.0       1.8
     314.0       2.5
     315.0       8.4
     316.0       2.5
     317.0      10.8
     318.0       1.8
     319.0       5.3
     321.0       1.2
     322.0       1.2
     324.0       1.6
     326.0       1.0
     333.0      16.2
     334.0       1.9
     335.0      25.7
     336.0       2.8
     337.0      16.5
     338.0       1.7
     339.0       5.4
     340.0       1.5
     341.0       1.3
     342.0       1.8
     344.0       1.6
     351.0       1.6
     353.0       2.6
     355.0       1.7
     368.0       5.9
     370.0      12.3
     371.0       1.5
     372.0       9.3
     373.0       1.1
     374.0       4.1
     376.0       1.0
     386.0       4.4
     388.0       8.3
     390.0       7.0
     392.0       3.0

90 MHz in CDCl3

parameter in CDCl3

¹H NMR	89.56 MHz
C₉ H₄ Cl₆ O₄	0.044 g : 0.5 ml CDCl₃
chlorendic acid

    Assign.     Shift(ppm)

      A             7.14
      B             4.064

     Hz     ppm     Int.

    646.08   7.214     35
    639.59   7.142    274
    634.89   7.089     84
    364.01   4.065   1000

¹H NMR	300 MHz
C₉ H₄ Cl₆ O₄	0.043 g : 0.5 ml CDCl₃
chlorendic acid

    Parameter     ppm  Hz

      D(A)         4.082
     
      D(B)        10.56

     Hz     ppm     Int.

   3168.01  10.560    102
   1224.63   4.082   1000

in CDCl3

KBr disc

nujol mull

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