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1138-52-9

3,5-二叔丁基苯酚(1138-52-9)質譜(MS)

分子式:C14H22O

分子量: 206.32

InChI:InChI=1S/C14H22O/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10/h7-9,15H,1-6H3

InChIKey: ZDWSNKPLZUXBPE-UHFFFAOYSA-N

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

  • 圖譜
    Mass 

    MS-NW-6253          
3,5-di-tert-butylphenol
C14H22O             (Mass of molecular ion:    206)


       Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV


          27.0       1.7
      29.0       7.3
      39.0       3.6
      41.0      13.3
      51.0       1.7
      53.0       1.3
      55.0       2.8
      57.0      67.5
      58.0       3.1
      64.0       1.0
      65.0       1.8
      66.0       1.6
      73.0       3.9
      74.0       4.9
      77.0       3.0
      79.0       1.7
      87.5       1.2
      88.0       3.5
      91.0       3.6
      95.0       1.2
     105.0       1.7
     107.0       3.9
     115.0       1.8
     117.0       1.1
     119.0       1.1
     121.0       1.6
     133.0       1.5
     135.0       4.5
     147.0       2.3
     149.0       1.0
     163.0       3.8
     175.0       1.2
     191.0     100.0
     192.0      14.6
     193.0       1.2
     206.0      30.5
     207.0       5.0

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C14 H22 O 0.041 g : 0.5 ml CDCl3
    3,5-di-tert-butylphenol
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             6.991
      B             6.682
      C             4.8
      D             1.285
  

         Hz     ppm     Int.


        626.25   6.993     29
    599.31   6.692     83
    597.63   6.673     74
    115.13   1.286   1000
    113.25   1.265     54

in CDCl3

  • 圖譜

KBr disc

  • 圖譜

nujol mull

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