95-95-4

2,4,5-三氯苯酚(95-95-4)Raman光谱

产品名称:2,4,5-三氯苯酚

CAS:95-95-4

分子式:C6H3Cl3O

分子量: 197.45

InChI:InChI=1S/C6H3Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H

InChIKey: LHJGJYXLEPZJPM-UHFFFAOYSA-N

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

Mass

MS-NW-1449          
2,4,5-trichlorophenol
C6H3Cl3O            (Mass of molecular ion:    196)

   Source Temperature: 260 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      28.0       1.2
      29.0       1.3
      36.0       1.8
      37.0       5.2
      38.0       1.7
      47.0       1.6
      48.0       9.7
      48.5       1.8
      49.0       4.9
      50.0       2.0
      53.0       5.9
      60.0       3.0
      61.0      10.8
      62.0      14.5
      63.0       6.4
      66.0       4.8
      67.0       2.9
      71.0       1.4
      72.0       4.3
      73.0       7.8
      74.0       2.3
      75.0       2.1
      80.0       2.7
      81.0       1.7
      83.0       3.0
      84.0       1.4
      85.0       2.1
      87.0       1.3
      96.0       3.4
      97.0      42.1
      98.0       7.0
      99.0      16.8
     100.0       2.3
     107.0       4.4
     108.0       1.1
     109.0       3.1
     132.0      27.0
     133.0      14.2
     134.0      17.9
     135.0       9.1
     136.0       3.3
     137.0       1.5
     160.0       5.0
     161.0       1.5
     162.0       3.5
     163.0       1.0
     167.0       2.7
     169.0       2.7
     192.0       1.5
     196.0     100.0
     197.0       6.9
     198.0      95.0
     199.0       6.4
     200.0      30.4
     201.0       2.0
     202.0       3.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₃ Cl₃ O	0.042 g : 0.5 ml CDCl₃
2,4,5-trichlorophenol

    Assign.     Shift(ppm)

      A             7.41
      B             7.13
      C             5.57

     Hz     ppm     Int.

    663.19   7.405   1000
    638.50   7.130    908
    636.56   7.108     30
    498.75   5.569    283

in CDCl3

CCl4 solution

KBr disc

nujol mull

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