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2014-83-7

2,6-二氯氯苄(2014-83-7)红外图谱(IR1)

产品名称:2,6-二氯氯苄

CAS:2014-83-7

分子式:C7H5Cl3

分子量: 195.47

InChI:InChI=1S/C7H5Cl3/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2

InChIKey: LBOBESSDSGODDD-UHFFFAOYSA-N

Smiles:C1(Cl)=CC=CC(Cl)=C1CCl

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    Mass

    MS-NW-8759          
    2,6-dichlorobenzyl chloride
    C7H5Cl3             (Mass of molecular ion:    194)
    

       Source Temperature: 280 °C
       Sample Temperature: 130 °C
       Reservoir, 75 eV
    

          36.0       1.5
          37.0       1.3
          38.0       1.5
          39.0       3.2
          43.0       3.6
          43.5       1.2
          44.0       3.4
          49.0       1.2
          50.0       2.4
          51.0       1.7
          60.0       1.1
          61.0       8.7
          61.5       3.9
          62.0       9.1
          62.5       1.3
          63.0      10.1
          73.0       6.2
          74.0       1.4
          75.0       2.6
          79.0       4.3
          79.5       3.1
          80.0       2.9
          80.5       1.9
          85.0       1.6
          86.0       2.3
          87.0       2.7
          88.0       1.1
          89.0      10.4
          97.0       3.1
          99.0       3.1
         123.0      14.4
         124.0       5.2
         125.0       6.0
         126.0       1.7
         133.0       2.5
         135.0       1.6
         159.0     100.0
         160.0       8.7
         161.0      64.5
         162.0       5.3
         163.0      10.5
         194.0      18.7
         195.0       1.9
         196.0      18.0
         197.0       1.5
         198.0       5.7
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C7 H5 Cl3 0.040 g : 0.5 ml CDCl3
    2,6-dichlorobenzyl chloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.330 B 7.204 C 4.875

         Hz     ppm     Int.
    

       2934.81   7.344    333
       2934.45   7.343    330
       2926.51   7.323    551
       2885.99   7.222    235
       2878.54   7.203    194
       2877.32   7.200    172
       2869.87   7.181    132
       1948.49   4.876   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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