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3290-01-5

2,3-二氯氯苄(3290-01-5)红外图谱(IR1)

产品名称:2,3-二氯氯苄

CAS:3290-01-5

分子式:C7H5Cl3

分子量: 195.47

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

InChIKey: AIPJZPPOFWCJRC-UHFFFAOYSA-N

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

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    Mass

    MS-IW-2211          
    alpha,2,3-trichlorotoluene
    C7H5Cl3             (Mass of molecular ion:    194)
    

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

          37.0       1.0
          38.0       1.0
          39.0       2.6
          43.0       2.3
          44.0       1.8
          49.0       1.1
          50.0       1.9
          51.0       1.3
          61.0       7.0
          61.5       2.9
          62.0       6.7
          63.0       8.0
          73.0       5.1
          74.0       1.3
          75.0       2.3
          79.0       3.6
          79.5       1.9
          80.0       2.4
          80.5       1.1
          84.0       1.0
          85.0       1.5
          86.0       1.8
          87.0       2.4
          89.0       9.1
          97.0       3.1
          99.0       2.8
         123.0      13.1
         124.0       4.9
         125.0       4.8
         126.0       1.6
         133.0       2.6
         135.0       1.7
         158.0       1.3
         159.0     100.0
         160.0       8.6
         161.0      64.8
         162.0       5.1
         163.0      10.5
         194.0      19.7
         195.0       2.3
         196.0      18.9
         197.0       1.7
         198.0       6.0
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C7 H5 Cl3 0.05 ml : 0.5 ml CDCl3
    alpha,2,3-trichlorotoluene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.383 B 7.330 C 7.159 D 4.660

         Hz     ppm     Int.
    

       2955.93   7.397    217
       2954.35   7.393    237
       2948.00   7.377    252
       2946.41   7.373    286
       2934.57   7.343    211
       2932.98   7.339    203
       2930.30   7.333     23
       2929.69   7.331     24
       2926.88   7.324    267
       2925.78   7.321    177
       2925.29   7.320    236
       2868.29   7.178    280
       2860.35   7.158    395
       2852.66   7.138    194
       1862.30   4.660   1000
    

in CDCl3

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liquid film

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