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3964-56-5

4-溴-2-氯苯酚(3964-56-5)红外图谱(IR2)

产品名称:4-溴-2-氯苯酚

CAS:3964-56-5

分子式:C6H4BrClO

分子量: 207.45

InChI:InChI=1S/C6H4BrClO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H

InChIKey: VIBJPUXLAKVICD-UHFFFAOYSA-N

Smiles:C1(O)=CC=C(Br)C=C1Cl

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    Mass

    MS-IW-9719          
    4-bromo-2-chlorophenol
    C6H4BrClO           (Mass of molecular ion:    206)
    

       Source Temperature: 230 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          31.0       1.2
          36.0       1.5
          37.0       4.4
          38.0       4.4
          39.0       2.8
          48.0       1.1
          49.0       4.4
          50.0       3.3
          53.0       5.9
          60.0       1.3
          61.0       5.8
          62.0      10.2
          63.0      46.5
          64.0       5.9
          71.0       1.8
          72.0       2.8
          73.0       7.2
          74.0       3.1
          75.0       3.0
          91.0       6.7
          92.0       1.2
          97.0       1.5
          98.0       1.7
          99.0      14.6
         100.0       1.4
         101.0       4.5
         103.0       3.8
         104.0       4.8
         105.0       1.3
         117.0       1.4
         119.0       1.3
         126.0       3.2
         127.0       7.9
         128.0       1.7
         129.0       3.0
         142.0       9.9
         143.0       1.7
         144.0       9.6
         145.0       1.3
         170.0       7.9
         172.0       7.6
         177.0       1.6
         179.0       2.1
         206.0      77.3
         207.0       5.7
         208.0     100.0
         209.0       6.8
         210.0      24.2
         211.0       1.6
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C6 H4 Br Cl O 0.038 g : 0.5 ml CDCl3
    4-bromo-2-chlorophenol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.457 B 7.283 C 6.902 D 5.54

         Hz     ppm     Int.
    

       2981.32   7.460    931
       2979.00   7.455   1000
       2975.71   7.446     25
       2916.38   7.298    525
       2914.06   7.292    476
       2911.38   7.285     24
       2911.01   7.284     25
       2910.40   7.283     25
       2907.71   7.276    543
       2905.27   7.270    512
       2762.82   6.914    964
       2754.15   6.892    894
       2213.13   5.538    459
    

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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