935-95-5

2,3,5,6-四氯酚(935-95-5)质谱(MS)

产品名称:2,3,5,6-四氯酚

CAS:935-95-5

分子式:C6H2Cl4O

分子量: 231.89

InChI:InChI=1S/C6H2Cl4O/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H

InChIKey: KEWNKZNZRIAIAK-UHFFFAOYSA-N

Smiles:C1(O)=C(Cl)C(Cl)=CC(Cl)=C1Cl

Mass

MS-NW-8744          
2,3,5,6-tetrachlorophenol
C6H2Cl4O            (Mass of molecular ion:    230)

   Source Temperature: 270 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      18.0       1.6
      36.0       3.0
      37.0       2.5
      47.0       1.2
      48.0       3.3
      49.0       2.1
      60.0       3.1
      61.0       8.1
      62.0       3.8
      65.0       9.0
      65.5       1.9
      66.0       6.2
      66.5       1.2
      67.0       1.2
      71.0       1.4
      72.0       2.4
      73.0       2.6
      83.0       8.8
      84.0       7.5
      85.0       3.3
      87.0       3.9
      89.0       1.5
      95.0       2.9
      96.0       9.2
      97.0       7.6
      98.0       5.7
      99.0       2.3
     107.0       5.4
     108.0       1.8
     109.0       3.4
     115.0       3.2
     116.0       4.0
     117.0       2.2
     124.0       1.4
     130.0       1.1
     131.0      25.9
     132.0       2.5
     133.0      16.8
     134.0       1.2
     135.0       2.8
     143.0       1.1
     166.0      19.4
     167.0       5.4
     168.0      18.8
     169.0       5.0
     170.0       6.2
     171.0       1.6
     194.0      19.3
     195.0       1.5
     196.0      18.9
     197.0       1.3
     198.0       6.2
     201.0       1.6
     203.0       2.0
     205.0       1.0
     230.0      77.9
     231.0       5.4
     232.0     100.0
     233.0       6.6
     234.0      47.9
     235.0       3.2
     236.0      10.5
     310.0       1.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₂ Cl₄ O	0.039 g : 0.5 ml CDCl₃
2,3,5,6-tetrachlorophenol

    Assign.     Shift(ppm)

      A             7.214
      B             5.95

     Hz     ppm     Int.

   2883.30   7.215   1000
   2376.95   5.948     80

in CDCl3

KBr disc

nujol mull

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