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591-35-5

3,5-二氯苯酚(591-35-5)Raman光譜

產(chǎn)品名稱:3,5-二氯苯酚

CAS:591-35-5

分子式:C6H4Cl2O

分子量: 163

InChI:InChI=1S/C6H4Cl2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H

InChIKey: VPOMSPZBQMDLTM-UHFFFAOYSA-N

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

  • 圖譜
    Mass 

    MS-NW-1278          
3,5-dichlorophenol
C6H4Cl2O            (Mass of molecular ion:    162)


       Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV


          28.0       1.4
      29.0       1.0
      31.0       1.6
      36.0       1.1
      37.0       3.8
      38.0       4.3
      39.0       2.9
      48.0       1.3
      49.0       5.0
      50.0       2.7
      53.0       3.3
      60.0       1.6
      61.0       5.2
      62.0       8.3
      63.0      24.6
      64.0       2.5
      72.0       1.1
      73.0      10.4
      74.0       2.5
      75.0       3.4
      81.0       3.7
      82.0       2.3
      83.0       1.0
      87.0       1.2
      91.0       1.6
      97.0       1.8
      98.0      11.7
      99.0      30.9
     100.0       5.5
     101.0      10.2
     126.0       3.8
     127.0       4.1
     128.0       1.7
     129.0       1.4
     133.0       3.3
     134.0       3.0
     135.0       2.3
     136.0       2.0
     162.0     100.0
     163.0       6.7
     164.0      63.7
     165.0       4.4
     166.0      10.6

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C6 H4 Cl2 O 0.052 g : 0.5 ml CDCl3
    3,5-dichlorophenol
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             6.946
      B             6.747
      C             5.15
  

         Hz     ppm     Int.


        624.00   6.968    192
    622.31   6.949    421
    620.50   6.929    285
    605.00   6.756   1000
    603.25   6.736    848
    601.69   6.719     50
    460.94   5.147    145

in CDCl3

  • 圖譜

CCl4 solution

  • 圖譜

KBr disc

  • 圖譜

nujol mull

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  • 圖譜

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