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57058-14-7

2,3-二氯芐叉二氯(57058-14-7)質(zhì)譜(MS)

產(chǎn)品名稱(chēng):2,3-二氯芐叉二氯

CAS:57058-14-7

分子式:C7H4Cl4

分子量: 229.92

InChI:InChI=1S/C7H4Cl4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,7H

InChIKey: DGILBEZUEYPVNX-UHFFFAOYSA-N

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

  • 圖譜
    Mass

    MS-IW-2212          
    alpha,alpha,2,3-tetrachlorotoluene
    C7H4Cl4             (Mass of molecular ion:    228)
    

       Source Temperature: 220 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          36.0       1.7
          37.0       1.3
          38.0       1.2
          39.0       1.6
          43.0       3.0
          49.0       1.3
          50.0       2.1
          60.0       2.3
          60.5       1.3
          61.0       8.0
          62.0       6.1
          63.0       3.7
          72.0       1.2
          73.0       8.4
          74.0       1.7
          75.0       3.2
          78.0       2.4
          78.5       3.1
          79.0       3.3
          79.5       2.1
          80.0       1.4
          83.0       1.1
          84.0       1.7
          85.0       2.6
          86.0       3.6
          87.0       4.6
          88.0       1.2
          96.0       2.9
          96.5       5.9
          97.0       6.5
          97.5       5.6
          98.0       1.6
          98.5       1.8
          99.0       1.9
         107.0       2.2
         109.0       1.9
         123.0      15.4
         124.0       1.3
         125.0       4.9
         133.0       3.7
         135.0       2.2
         157.0       7.7
         158.0       5.0
         159.0       5.8
         160.0       3.2
         161.0       1.3
         167.0       1.0
         192.0       1.5
         193.0     100.0
         194.0       9.3
         195.0      96.2
         196.0       8.0
         197.0      31.5
         198.0       2.5
         199.0       3.4
         228.0      13.7
         229.0       1.3
         230.0      17.4
         231.0       1.5
         232.0       8.4
         234.0       1.8
    

400 MHz in CDCl3

  • 圖譜

    1H NMR 399.65 MHz
    C7 H4 Cl4 0.05 ml : 0.5 ml CDCl3
    alpha,alpha,2,3-tetrachlorotoluene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.848 B 7.462 C 7.295 D 7.153

         Hz     ppm     Int.
    

       3141.36   7.861    352
       3139.89   7.857    345
       3133.42   7.841    383
       3131.84   7.837    363
       2987.43   7.476    350
       2985.96   7.472    335
       2983.76   7.466     23
       2979.37   7.455    437
       2977.91   7.452    408
       2922.85   7.314    371
       2914.79   7.294    610
       2906.86   7.274    284
       2858.64   7.153   1000
    

in CDCl3

  • 圖譜

liquid film

  • 圖譜

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