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13014-24-9

3,4-二氯三氯苄(13014-24-9)核磁图(13CNMR)

产品名称:3,4-二氯三氯苄

CAS:13014-24-9

分子式:C7H3Cl5

分子量: 264.36

InChI:InChI=1S/C7H3Cl5/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3H

InChIKey: ATYLRBXENHNROH-UHFFFAOYSA-N

Smiles:C1(Cl)=CC=C(C(Cl)(Cl)Cl)C=C1Cl

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    Mass

    MS-IW-9263          
    alpha,alpha,alpha,3,4-pentachlorotoluene
    C7H3Cl5             (Mass of molecular ion:    262)
    

       Source Temperature: 210 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          28.0       1.8
          36.0       2.5
          37.0       2.0
          38.0       1.2
          43.0       2.9
          49.0       1.7
          50.0       2.5
          60.0       7.1
          60.5       2.8
          61.0       6.1
          62.0       2.5
          72.0       2.4
          73.0       6.1
          74.0       2.8
          75.0       2.8
          78.0       9.6
          78.5       1.7
          79.0       6.1
          80.0       1.0
          83.0       1.3
          84.0       2.5
          85.0       4.1
          86.0       5.0
          87.0       4.5
          95.0       1.8
          95.5       3.0
          96.0       7.5
          96.5       3.3
          97.0       8.7
          98.0       2.3
          99.0       1.4
         107.0       5.8
         109.0       4.6
         111.0       1.1
         113.0       2.7
         113.5       7.4
         114.0       3.8
         114.5       9.3
         115.0       4.0
         115.5       1.9
         121.0       2.6
         122.0       1.4
         123.0       1.1
         131.0       1.4
         133.0       1.5
         157.0      17.4
         158.0       1.6
         159.0      11.1
         161.0       1.9
         167.0       1.6
         169.0       1.5
         173.0       1.3
         191.0       2.4
         192.0       6.3
         193.0       3.5
         194.0       6.1
         195.0       1.9
         196.0       2.0
         227.0      78.6
         228.0       6.3
         229.0     100.0
         230.0       7.8
         231.0      47.3
         232.0       3.7
         233.0      10.1
         262.0       5.3
         264.0       8.2
         266.0       5.1
         268.0       1.6
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C7 H3 Cl5 0.05 ml : 0.5 ml CDCl3
    alpha,alpha,alpha,3,4-pentachlorotoluene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.011 B 7.743 C 7.493

         Hz     ppm     Int.
    

       3202.88   8.015    949
       3200.32   8.008    965
       3197.88   8.002     28
       3197.63   8.002     28
       3100.46   7.758    516
       3097.90   7.752    487
       3091.80   7.737    605
       3089.23   7.730    582
       2998.90   7.504   1000
       2990.23   7.483    863
          0.00   0.001    394
    

in CDCl3

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liquid film

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