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98-54-4

4-叔丁基苯酚(98-54-4)核磁图(13CNMR)

产品名称:4-叔丁基苯酚

CAS:98-54-4

分子式:C10H14O

分子量: 150.22

InChI:InChI=1S/C10H14O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3

InChIKey: QHPQWRBYOIRBIT-UHFFFAOYSA-N

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

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    Mass

    MS-NW-1815          
    p-tert-butylphenol
    C10H14O             (Mass of molecular ion:    150)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          27.0       3.6
          29.0       2.3
          38.0       1.0
          39.0      10.3
          40.0       1.2
          41.0      14.7
          50.0       1.5
          51.0       4.2
          52.0       1.3
          53.0       2.1
          55.0       2.0
          62.0       1.1
          63.0       3.2
          64.0       1.1
          65.0       6.6
          66.0       2.2
          77.0       9.6
          78.0       1.9
          79.0       3.1
          89.0       1.4
          91.0       9.6
          92.0       1.0
          94.0       1.9
          95.0      12.3
         103.0       1.2
         105.0       2.0
         106.0       1.0
         107.0      33.6
         108.0       2.8
         115.0       1.7
         119.0       3.9
         120.0       1.8
         121.0       1.0
         134.0       1.8
         135.0     100.0
         136.0       9.9
         150.0      21.5
         151.0       2.3
    

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in CDCl3

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CCl4 solution

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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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