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104-83-6

4-氯氯芐(104-83-6)紅外圖譜(IR1)

產(chǎn)品名稱:4-氯氯芐

CAS:104-83-6

分子式:C7H6Cl2

分子量: 161.03

InChI:InChI=1S/C7H6Cl2/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2

InChIKey: JQZAEUFPPSRDOP-UHFFFAOYSA-N

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

  • 圖譜
    Mass 

    MS-NW-4806          
alpha,4-dichlorotoluene
C7H6Cl2             (Mass of molecular ion:    160)


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


          36.0       1.1
      37.0       1.0
      38.0       1.6
      39.0       4.3
      43.0       1.6
      44.0       3.4
      44.5       1.4
      50.0       2.7
      51.0       2.4
      61.0       1.5
      62.0       6.1
      63.0       7.9
      64.0       1.5
      73.0       2.4
      75.0       1.5
      89.0      13.8
      90.0       4.6
      99.0       4.4
     101.0       1.4
     123.0       1.0
     125.0     100.0
     126.0       7.9
     127.0      31.6
     128.0       2.6
     159.0       1.7
     160.0      19.3
     161.0       2.7
     162.0      12.5
     163.0       1.1
     164.0       2.1

parameter in CDCl3

  • 圖譜

    1H NMR 300 MHz
    C7 H6 Cl2 0.040 g : 0.5 ml CDCl3
    alpha,4-dichlorotoluene
    ChemicalStructure 
        Parameter     ppm  Hz
    
      D(A)         7.316
     
      D(B)         4.539
  

         Hz     ppm     Int.


       2194.81   7.316   1000
   1361.69   4.539    500

in CDCl3

  • 圖譜

KBr disc

  • 圖譜

liquid film

  • 圖譜

4880 A,150M,powder

  • 圖譜

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