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20443-98-5

2,6-二氯苄基溴(20443-98-5)核磁图(13CNMR)

产品名称:2,6-二氯苄基溴

CAS:20443-98-5

分子式:C7H5BrCl2

分子量: 239.92

InChI:InChI=1S/C7H5BrCl2/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2

InChIKey: PDFGFQUSSYSWNI-UHFFFAOYSA-N

Smiles:C1(Cl)=CC=CC(Cl)=C1CBr

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    Mass

    MS-NW-7264          
    alpha-bromo-2,6-dichlorotoluene
    C7H5BrCl2           (Mass of molecular ion:    238)
    

       Source Temperature: 220 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          37.0       1.9
          38.0       2.0
          39.0       4.2
          43.0       2.9
          43.5       1.1
          44.0       3.8
          49.0       1.3
          50.0       3.2
          51.0       2.3
          61.0       5.0
          61.5       4.1
          62.0       9.8
          62.5       1.5
          63.0      12.4
          73.0       5.9
          74.0       1.1
          75.0       2.1
          79.5       5.7
          80.5       3.6
          84.0       1.2
          85.0       1.5
          86.0       2.3
          87.0       3.1
          88.0       1.4
          89.0      13.5
          90.0       1.0
          97.0       2.3
          99.0       2.9
         101.0       1.2
         123.0      11.5
         124.0       5.9
         125.0       4.9
         126.0       2.0
         133.0       2.5
         135.0       1.6
         159.0     100.0
         160.0       8.1
         161.0      62.9
         162.0       5.3
         163.0      10.2
         238.0       4.2
         240.0       6.5
         242.0       2.9
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C7 H5 Br Cl2 0.039 g : 0.5 ml CDCl3
    alpha-bromo-2,6-dichlorotoluene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.321 B 7.185 C 4.758

         Hz     ppm     Int.
    

       2930.54   7.333    352
       2922.61   7.313    558
       2878.42   7.203    239
       2870.97   7.184    197
       2869.75   7.181    181
       2862.30   7.163    139
       1901.86   4.759   1000
    

in CDCl3

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KBr disc

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nujol mull

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4880 A,200 M,powder

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