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1570-64-5

4-氯-2-甲基苯酚(1570-64-5)质谱(MS)

产品名称:4-氯-2-甲基苯酚

CAS:1570-64-5

分子式:C7H7ClO

分子量: 142.58

InChI:InChI=1S/C7H7ClO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3

InChIKey: RHPUJHQBPORFGV-UHFFFAOYSA-N

Smiles:C1(O)=CC=C(Cl)C=C1C

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    Mass

    MS-NW-1833          
    4-chloro-o-cresol
    C7H7ClO             (Mass of molecular ion:    142)
    

       Source Temperature: 240 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          26.0       1.3
          27.0       5.4
          29.0       1.3
          37.0       2.6
          38.0       6.0
          38.5       1.4
          39.0      11.7
          43.0       1.5
          44.0       1.5
          49.0       1.3
          50.0       8.3
          51.0      19.4
          52.0       5.3
          53.0       8.3
          55.0       1.5
          61.0       1.9
          62.0       3.0
          63.0       5.8
          71.0       2.5
          72.0       1.0
          73.0       3.1
          74.0       3.0
          75.0       3.1
          76.0       1.1
          77.0      41.9
          78.0       8.1
          79.0      17.4
          80.0       1.2
          87.0       1.1
          89.0      11.8
          90.0       1.0
         105.0       1.1
         107.0      95.8
         108.0       7.5
         113.0       3.2
         115.0       1.1
         124.0       3.6
         125.0       1.4
         126.0       1.2
         141.0      12.2
         142.0     100.0
         143.0      11.1
         144.0      32.2
         145.0       2.4
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C7 H7 Cl O 0.044 g : 0.5 ml CDCl3
    4-chloro-o-cresol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.07 B 7.03 C 6.674 D 4.79 E 2.201 A,B AND C WERE CONFIRMED BY LAOCN PROGRAM.

         Hz     ppm     Int.
    

        636.75   7.110     41
        635.94   7.101     76
        635.00   7.091     99
        634.19   7.082    235
        633.44   7.073    314
        632.63   7.064    204
        625.75   6.987    141
        625.13   6.981    142
        623.13   6.958     96
        622.56   6.952     95
        603.31   6.737     32
        601.31   6.715    156
        600.94   6.710    171
        600.44   6.705    167
        592.94   6.621     97
        592.50   6.616    110
        428.94   4.790    280
        197.38   2.204   1000
    

in CDCl3

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KBr disc

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nujol mull

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4880 A,100M,powder

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