2,3,5,6-TETRACHLORO-P-XYLENE-A,A'-DIOL(7154-26-9) MS

Product Name2,3,5,6-TETRACHLORO-P-XYLENE-A,A'-DIOL

CAS 7154-26-9

Molecular FormulaC8H6Cl4O2

Molecular Weight275.94

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Mass

MS-NW-7891          
2,3,5,6-tetrachloro-p-xylene-alpha,alpha'-diol
C8H6Cl4O2           (Mass of molecular ion:    274)

   Source Temperature: 150 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      18.0       2.5
      19.0       2.1
      26.0       1.0
      27.0       1.7
      28.0       5.4
      29.0      37.4
      30.0       3.7
      31.0     100.0
      32.0       1.1
      35.0       2.1
      36.0      12.0
      37.0       4.7
      38.0       3.7
      39.0       3.2
      43.0       2.4
      47.0       2.0
      49.0       4.5
      50.0       8.7
      51.0       8.6
      52.0       1.3
      53.0       2.5
      55.0       2.1
      60.0       4.4
      60.5       1.0
      61.0       9.1
      62.0       5.8
      63.0       5.4
      65.0       4.8
      67.0       1.7
      69.0       1.1
      71.0       2.4
      72.0       4.2
      73.0      17.2
      74.0      23.7
      75.0      24.2
      76.0       2.8
      77.0       5.3
      78.0       2.1
      78.5       1.1
      79.0       2.1
      83.0       3.7
      84.0       8.5
      85.0      14.2
      86.0      10.1
      87.0       7.7
      88.0       1.2
      89.0       2.3
      91.0       1.8
      93.0       2.1
      94.0       1.5
      95.0       2.5
      96.0       3.7
      97.0       7.9
      98.0       2.6
      99.0       3.5
     101.0       1.8
     102.0       2.1
     103.0       2.0
     105.0       1.2
     107.0       8.2
     108.0      17.0
     109.0      30.0
     110.0      11.8
     110.5       1.1
     111.0      37.2
     111.5       1.3
     112.0      10.1
     113.0      10.6
     114.0       2.8
     118.0       3.2
     119.0       5.2
     120.0       7.1
     121.0       7.6
     122.0       2.8
     123.0      11.0
     124.0       1.7
     125.0       3.3
     131.0       2.4
     133.0       4.3
     134.0       1.1
     135.0       3.0
     136.0       1.1
     137.0       2.8
     139.0       5.1
     140.0       1.0
     141.0       2.9
     142.0       4.3
     143.0      12.3
     144.0       7.9
     145.0      26.1
     146.0      14.1
     147.0      17.9
     148.0       7.6
     149.0       5.4
     150.0       1.5
     155.0       1.3
     157.0      18.2
     158.0       7.3
     159.0      14.4
     160.0       4.8
     161.0       4.5
     162.0       1.1
     167.0       1.7
     169.0       1.9
     170.0       2.3
     171.0       2.5
     172.0       2.2
     173.0       8.4
     174.0       3.6
     175.0       7.1
     176.0       2.6
     177.0       3.5
     178.0       2.2
     179.0       7.6
     180.0       8.4
     181.0      13.3
     182.0       7.6
     183.0       9.0
     184.0       2.5
     185.0       2.9
     186.0       3.9
     187.0       1.5
     188.0       2.3
     191.0       6.4
     192.0       6.2
     193.0      61.6
     194.0      12.7
     195.0      58.6
     196.0       8.5
     197.0      18.2
     198.0       2.4
     199.0       2.1
     201.0       3.9
     202.0       5.9
     203.0      42.9
     204.0       8.0
     205.0      27.3
     206.0       4.0
     207.0       9.0
     208.0       2.5
     209.0       8.6
     210.0       2.0
     211.0       5.3
     212.0       1.1
     213.0       2.1
     215.0       1.9
     217.0       1.8
     220.0       1.2
     221.0      79.8
     222.0       8.7
     223.0      76.3
     224.0       7.7
     225.0      25.3
     226.0       3.0
     227.0      17.6
     228.0       7.6
     229.0      19.9
     230.0       8.7
     231.0       9.9
     232.0       4.1
     233.0       2.6
     237.0       3.7
     238.0       5.1
     239.0      77.1
     240.0      12.5
     241.0      73.8
     242.0       9.5
     243.0      25.1
     244.0       3.4
     245.0       4.0
     255.0       2.8
     256.0       1.8
     257.0       8.8
     258.0       2.7
     259.0       8.4
     260.0       1.9
     261.0       3.5
     273.0       4.3
     274.0      55.1
     275.0      11.3
     276.0      68.5
     277.0      10.3
     278.0      34.1
     279.0       4.2
     280.0       7.8
     281.0       1.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₈ H₆ Cl₄ O₂	0.039 g : 0.5 ml DMSO-d₆
2,3,5,6-tetrachloro-p-xylene-alpha,alpha'-diol

    Assign.     Shift(ppm)

      A             5.47
      B             4.762
     
     J(A,B)=5.6 HZ

     Hz     ppm     Int.

   2190.55   5.482    283
   2184.94   5.468    592
   2179.44   5.454    294
   1919.31   4.803     25
   1906.13   4.770   1000
   1900.51   4.756    960

DMSO-d6

KBr disc

nujol mull

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