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541-73-1

1,3-二氯苯(541-73-1)Raman光谱

产品名称:1,3-二氯苯

CAS:541-73-1

分子式:C6H4Cl2

分子量: 147

InChI:InChI=1S/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4H

InChIKey: ZPQOPVIELGIULI-UHFFFAOYSA-N

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

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    Mass

    MS-NW-3191          
    m-dichlorobenzene
    C6H4Cl2             (Mass of molecular ion:    146)
    

       Source Temperature: 290 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          37.0       2.7
          38.0       2.3
          49.0       2.1
          50.0      10.5
          51.0       3.7
          55.0       3.7
          56.0       1.3
          61.0       1.3
          73.0       5.8
          74.0       9.2
          75.0      19.7
          76.0       2.7
          84.0       2.3
          85.0       2.9
          86.0       1.3
          87.0       1.0
         109.0       1.4
         110.0       2.4
         111.0      32.9
         112.0       3.0
         113.0      10.5
         146.0     100.0
         147.0       6.7
         148.0      63.0
         149.0       4.3
         150.0      10.2
    

90 MHz in CDCl3

parameter in TMS

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    1H NMR 89.56 MHz
    C6 H4 Cl2 0.05 ml : 0.5 ml CDCl3
    m-dichlorobenzene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.327 B 7.20 C 7.20 CONFIRMED BY LAOCN PROGRAM.

         Hz     ppm     Int.
    

        658.94   7.358     77
        658.00   7.348    117
        657.19   7.338     89
        656.19   7.327    253
        654.88   7.313    146
        654.44   7.308    194
        646.81   7.223     56
        646.44   7.218     47
        645.75   7.211    147
        644.69   7.199   1000
        643.69   7.188    549
        643.19   7.182    555
    

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    1H NMR 300 MHz
    C6 H4 Cl2 10 mol% in TMS
    m-dichlorobenzene
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.270 D(B) 7.104 D(C) 7.051 J(A,B) 1.97 J(A,B') 1.97 J(A,C) 0.36 J(B,B') 0.00 J(B,C) 8.10 J(B',C) 8.10 CRECELY,R.W. ET AL. SPECTROCHIM.ACTA 24A, 685 (1968) J(B,B'):0.89HZ. J(C-13,A):170.05HZ. J(C-13,B):167.07HZ. J(C-13,C):163.45HZ.

         Hz     ppm     Int.
    

       2183.10   7.277    335
       2182.64   7.275    361
       2180.90   7.270    728
       2179.27   7.264    426
       2138.40   7.128    258
       2136.68   7.122    244
       2135.50   7.118    391
       2133.38   7.111    343
       2129.57   7.099    862
       2128.85   7.096   1000
       2127.68   7.092    907
       2127.05   7.090    948
       2121.30   7.071    693
       2120.85   7.069    696
       2115.31   7.051    406
       2111.76   7.039    171
       2111.15   7.037    160
       2105.81   7.019    132
    

in CDCl3

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CCl4 solution

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liquid film

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