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527-35-5

2,3,5,6-四甲基苯酚(527-35-5)质谱(MS)

分子式:C10H14O

分子量: 150.22

InChI:InChI=1S/C10H14O/c1-6-5-7(2)9(4)10(11)8(6)3/h5,11H,1-4H3

InChIKey: KLAQSPUVCDBEGF-UHFFFAOYSA-N

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

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    Mass

    MS-NW-2356          
    2,3,5,6-tetramethylphenol
    C10H14O             (Mass of molecular ion:    150)
    

       Source Temperature: 270 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          18.0       1.6
          27.0       4.1
          29.0       1.7
          39.0       6.2
          40.0       1.0
          41.0       5.4
          43.0       4.3
          50.0       1.3
          51.0       3.9
          52.0       1.5
          53.0       3.7
          55.0       1.7
          63.0       1.9
          64.0       1.2
          65.0       4.0
          66.0       1.3
          67.0       2.6
          74.0       1.4
          75.0       1.4
          77.0       6.8
          78.0       1.8
          79.0       7.0
          91.0      15.3
          92.0       2.0
          93.0       3.5
         103.0       1.9
         105.0       8.8
         106.0       2.2
         107.0       9.0
         108.0       1.7
         115.0       3.4
         116.0       1.7
         117.0       8.0
         118.0       1.0
         119.0       1.7
         121.0       3.0
         122.0       2.0
         131.0       2.1
         133.0       2.5
         135.0     100.0
         136.0      10.3
         149.0      19.5
         150.0      85.9
         151.0       9.6
         164.0       3.3
    

90 MHz in CDCl3

parameter in CDCl3

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    1H NMR 89.56 MHz
    C10 H14 O 0.047 g : 0.5 ml CDCl3
    2,3,5,6-tetramethylphenol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.582 B 4.63 C 2.198 D 2.117

         Hz     ppm     Int.
    

        589.50   6.583    125
        414.31   4.627     81
        196.88   2.199    945
        189.63   2.118   1000
        184.50   2.061     35
    

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    1H NMR 300 MHz
    C10 H14 O 0.047 g : 0.5 ml CDCl3
    2,3,5,6-tetramethylphenol
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 6.582 D(B) 4.63 D(C) 2.198 D(D) 2.117

         Hz     ppm     Int.
    

       1974.60   6.582    123
       1387.79   4.626    105
        659.40   2.198    793
        635.13   2.117   1000
    

in CDCl3

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CCl4 solution

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KBr disc

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nujol mull

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