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108-43-0

3-氯苯酚(108-43-0)质谱(MS)

产品名称:3-氯苯酚

CAS:108-43-0

分子式:C6H5ClO

分子量: 128.56

InChI:InChI=1S/C6H5ClO/c7-5-2-1-3-6(8)4-5/h1-4,8H

InChIKey: HORNXRXVQWOLPJ-UHFFFAOYSA-N

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

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    Mass

    MS-NW-1845          
    m-chlorophenol
    C6H5ClO             (Mass of molecular ion:    128)
    

       Source Temperature: 250 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          17.0       1.1
          18.0       5.0
          26.0       2.4
          27.0       2.5
          28.0       2.5
          29.0       3.3
          31.0       3.1
          32.0       3.6
          36.0       1.4
          37.0       9.0
          38.0      15.5
          39.0      30.6
          40.0       1.5
          42.0       1.1
          46.0       3.2
          47.0       1.1
          49.0       3.0
          50.0       7.7
          51.0       3.7
          53.0       8.5
          55.0       1.9
          60.0       2.0
          61.0       7.1
          62.0      10.7
          63.0      25.4
          64.0      26.7
          65.0      63.0
          66.0       4.7
          72.0       1.3
          73.0       9.7
          74.0       4.5
          75.0       4.4
          89.0       2.3
          92.0       6.3
          93.0       6.4
          99.0       8.8
         100.0      16.5
         101.0       3.6
         102.0       5.4
         128.0     100.0
         129.0       6.9
         130.0      32.1
         131.0       2.1
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C6 H5 Cl O 0.05 ml : 0.5 ml CDCl3
    m-chlorophenol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.109 B 6.907 C 6.839 D 6.704 E 6.27

         Hz     ppm     Int.
    

       2849.85   7.131    404
       2841.80   7.111    816
       2833.62   7.091    518
       2765.50   6.920    373
       2764.53   6.918    385
       2763.55   6.915    403
       2762.70   6.913    354
       2760.86   6.909     34
       2757.45   6.900    313
       2756.59   6.898    300
       2755.49   6.895    349
       2754.64   6.893    297
       2735.60   6.845    542
       2733.40   6.840    708
       2731.20   6.834    465
       2684.57   6.718    388
       2683.72   6.716    342
       2682.13   6.712    343
       2681.15   6.709    294
       2676.39   6.697    340
       2675.42   6.695    306
       2673.83   6.691    304
       2672.97   6.689    269
       2506.35   6.272   1000
    

in CDCl3

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liquid film

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