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68-36-0

1,4-双(三氯甲基)苯(68-36-0)质谱(MS)

分子式:C8H4Cl6

分子量: 312.84

InChI:InChI=1S/C8H4Cl6/c9-7(10,11)5-1-2-6(4-3-5)8(12,13)14/h1-4H

InChIKey: OTEKOJQFKOIXMU-UHFFFAOYSA-N

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

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    Mass

    MS-NW-9551          
    alpha,alpha,alpha,alpha',alpha',alpha'-hexachloro-p-xylene
    C8H4Cl6             (Mass of molecular ion:    310)
    

       Source Temperature: 170 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          18.0       2.2
          36.0       2.5
          49.0       1.3
          50.0       2.0
          61.0       1.1
          62.0       1.4
          66.5       1.2
          67.0       2.5
          73.0       1.6
          74.0       2.4
          75.0       1.4
          84.0       2.3
          85.0       9.6
          85.5       1.0
          86.0       5.8
          87.0       1.6
          97.0       1.2
          98.0       2.0
          99.0       3.7
         102.0       3.4
         102.5       1.3
         103.0       3.4
         103.5       1.3
         104.0       1.1
         108.0       1.2
         109.0       2.0
         120.0      13.2
         120.5       1.2
         121.0      16.7
         121.5       1.5
         122.0       8.1
         123.0       2.7
         133.0       2.7
         134.0       1.8
         135.0       3.6
         137.0       1.4
         138.0       1.0
         169.0       2.4
         170.0      14.3
         171.0       2.7
         172.0       9.3
         173.0       1.0
         174.0       1.5
         204.0       1.2
         205.0       2.4
         206.0       1.4
         207.0       2.3
         240.0      38.7
         241.0       4.2
         242.0      49.3
         243.0       5.0
         244.0      23.8
         245.0       2.2
         246.0       5.2
         275.0      62.5
         276.0       5.9
         277.0     100.0
         278.0       9.1
         279.0      63.9
         280.0       5.6
         281.0      20.5
         282.0       1.8
         283.0       3.3
         310.0       3.9
         312.0       7.4
         313.0       1.0
         314.0       5.9
         316.0       2.5
    

parameter in CDCl3

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    1H NMR 300 MHz
    C8 H4 Cl6 0.043 g : 0.5 ml CDCl3
    alpha,alpha,alpha,alpha',alpha',alpha'-hexachloro-p-xylene
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.997

         Hz     ppm     Int.
    

       2399.10   7.997   1000
    

in CDCl3

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CCl4 solution

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KBr disc

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nujol mull

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4880 A,100M,powder

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