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2409-55-4

2-叔丁基对甲苯酚(2409-55-4)质谱(MS)

分子式:C11H16O

分子量: 164.24

InChI:InChI=1S/C11H16O/c1-8-5-6-10(12)9(7-8)11(2,3)4/h5-7,12H,1-4H3

InChIKey: IKEHOXWJQXIQAG-UHFFFAOYSA-N

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

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    Mass

    MS-NW-6144          
    2-tert-butyl-p-cresol
    C11H16O             (Mass of molecular ion:    164)
    

       Source Temperature: 250 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          27.0       3.6
          29.0       2.1
          39.0       5.5
          41.0       8.4
          43.0       1.0
          50.0       1.2
          51.0       4.2
          52.0       1.8
          53.0       3.7
          55.0       1.8
          63.0       1.9
          64.0       1.2
          65.0       2.9
          66.0       1.4
          67.0       1.0
          72.5       1.0
          73.5       1.3
          74.5       1.6
          77.0       7.6
          78.0       2.0
          79.0       3.3
          89.0       1.1
          91.0      11.5
          92.0       1.3
          93.0       1.4
         103.0       2.1
         105.0       5.6
         107.0       4.9
         108.0       2.5
         109.0       6.1
         115.0       6.2
         116.0       6.4
         117.0       1.1
         119.0       1.1
         121.0      47.0
         122.0       4.5
         128.0       1.8
         129.0       2.7
         131.0       1.9
         133.0       2.3
         147.0       1.1
         148.0       1.2
         149.0     100.0
         150.0      11.0
         164.0      42.1
         165.0       5.4
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C11 H16 O 0.040 g : 0.5 ml CDCl3
    2-tert-butyl-p-cresol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.058 B 6.851 C 6.540 D 4.54 E 2.262 F 1.396

         Hz     ppm     Int.
    

        631.13   7.048     22
        588.63   6.573     43
        580.69   6.484     25
        406.94   4.544     55
        202.75   2.264    155
        126.94   1.418     21
        125.06   1.397   1000
    

in CDCl3

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liquid film

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