609-19-8

3,4,5-三氯苯酚(609-19-8)核磁图(¹HNMR)

产品名称:3,4,5-三氯苯酚

CAS:609-19-8

分子式:C6H3Cl3O

分子量: 197.45

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

InChIKey: GBNHEBQXJVDXSW-UHFFFAOYSA-N

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

Mass

MS-NW-6716          
3,4,5-trichlorophenol
C6H3Cl3O            (Mass of molecular ion:    196)

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

      18.0       2.3
      28.0       1.1
      29.0       1.9
      35.0       1.6
      36.0       2.4
      37.0       4.2
      38.0       1.5
      44.0       3.3
      47.0       1.4
      48.0       5.9
      48.5       1.5
      49.0       3.8
      50.0       1.3
      53.0       3.6
      60.0       2.9
      61.0       9.0
      62.0      12.1
      63.0       6.8
      66.0       3.5
      67.0       2.2
      71.0       1.4
      72.0       3.9
      73.0       8.9
      74.0       2.6
      75.0       2.5
      80.0       4.2
      81.0       2.9
      83.0       3.9
      84.0       2.6
      85.0       2.6
      87.0       1.7
      90.0       1.0
      91.0       1.2
      96.0       2.8
      97.0      24.5
      98.0       4.9
      99.0      10.4
     100.0       1.9
     107.0       4.9
     108.0       1.5
     109.0       3.5
     131.0       1.2
     132.0      11.6
     133.0      31.5
     134.0       9.2
     135.0      19.9
     136.0       2.6
     137.0       3.4
     160.0       7.8
     161.0       1.9
     162.0       5.3
     163.0       1.2
     164.0       1.0
     167.0       3.5
     168.0       1.0
     169.0       3.5
     171.0       1.2
     196.0     100.0
     197.0       7.1
     198.0      95.7
     199.0       6.5
     200.0      31.3
     201.0       2.3
     202.0       3.7

parameter in CDCl3

¹H NMR	300 MHz
C₆ H₃ Cl₃ O	0.041 g : 0.5 ml CDCl₃
3,4,5-trichlorophenol

    Parameter     ppm  Hz

      D(A)         6.902
      D(B)         4.98

     Hz     ppm     Int.

   2070.60   6.902   1000
   1494.30   4.981    500

in CDCl3

KBr disc

nujol mull

4880 A,200 M,powder

更多供应商

Capot Chemical Co., Ltd

3,4,5-三氯苯酚(609-19-8)核磁图(1HNMR)

3,4,5-三氯苯酚(609-19-8)核磁图(¹HNMR)