2，3，5-三氯苯酚TCP(933-78-8)質(zhì)譜(MS)

產(chǎn)品名稱:2，3，5-三氯苯酚TCP

CAS:933-78-8

分子式:C6H3Cl3O

分子量: 197.45

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

InChIKey: WWGQHTJIFOQAOC-UHFFFAOYSA-N

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

Mass

MS-NW-6788          
2,3,5-trichlorophenol
C6H3Cl3O            (Mass of molecular ion:    196)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      18.0       2.4
      28.0       1.8
      29.0       1.2
      35.0       1.2
      36.0       2.7
      37.0       4.2
      38.0       2.4
      44.0       1.9
      47.0       1.4
      48.0       7.6
      48.5       1.5
      49.0       4.0
      50.0       1.4
      53.0       2.3
      60.0       2.7
      61.0       8.4
      62.0      11.4
      63.0       6.1
      66.0       4.0
      67.0       2.6
      72.0       2.9
      73.0       6.8
      74.0       2.3
      75.0       1.9
      80.0       3.1
      81.0       2.1
      83.0       2.3
      84.0       1.6
      85.0       1.6
      87.0       3.4
      89.0       1.2
      90.0       1.3
      96.0       3.4
      97.0      29.5
      98.0       6.1
      99.0      12.6
     100.0       1.9
     107.0       3.4
     108.0       1.1
     109.0       2.7
     125.0       3.6
     126.0       1.0
     127.0       1.4
     131.0       1.1
     132.0      11.7
     133.0      11.0
     134.0       7.9
     135.0       6.8
     136.0       1.8
     137.0       1.2
     160.0      31.0
     161.0       2.8
     162.0      21.1
     163.0       1.8
     164.0       4.3
     167.0       2.7
     169.0       2.5
     196.0     100.0
     197.0       7.4
     198.0      95.2
     199.0       6.9
     200.0      31.2
     201.0       2.3
     202.0       3.6

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₃ Cl₃ O	0.040 g : 0.5 ml CDCl₃
2,3,5-trichlorophenol

    Assign.     Shift(ppm)

      A             7.053
      B             6.962
      C             5.74
     
     J(A,B)=2.4HZ.

     Hz     ppm     Int.

    633.19   7.071    570
    630.81   7.044   1000
    628.88   7.022     30
    624.44   6.973    982
    622.06   6.946    576
    514.38   5.744    730

in CDCl3