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返回ChemicalBook首頁(yè)>CAS數(shù)據(jù)庫(kù)列表>1421-49-4更多圖譜> 3,5-二叔丁基-4-羥基苯甲酸(1421-49-4)質(zhì)譜(MS)

1421-49-4

3,5-二叔丁基-4-羥基苯甲酸(1421-49-4)質(zhì)譜(MS)

分子式:C15H22O3

分子量: 250.33

InChI:InChI=1S/C15H22O3/c1-14(2,3)10-7-9(13(17)18)8-11(12(10)16)15(4,5)6/h7-8,16H,1-6H3,(H,17,18)

InChIKey: YEXOWHQZWLCHHD-UHFFFAOYSA-N

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

  • 圖譜
    Mass 

    MS-IW-7688          
3,5-di-tert-butyl-4-hydroxybenzoic acid
C15H22O3            (Mass of molecular ion:    250)


       Source Temperature: 170 °C
   Sample Temperature: 140 °C
   Direct, 75 eV


          29.0       1.2
      41.0       2.8
      55.0       1.7
      57.0       6.0
      77.0       1.1
      87.0       1.5
      91.0       2.2
      96.0       4.0
     107.0       1.1
     110.0       2.3
     115.0       1.6
     117.0       1.0
     128.0       1.0
     131.0       1.2
     175.0       3.8
     179.0       2.1
     191.0       3.0
     205.0       1.1
     207.0      15.0
     208.0       2.0
     219.0       2.6
     235.0     100.0
     236.0      15.5
     237.0       1.7
     250.0      23.4
     251.0       4.0

400 MHz in CDCl3

  • 圖譜

    1H NMR 399.65 MHz
    C15 H22 O3 0.042 g : 0.5 ml CDCl3
    3,5-di-tert-butyl-4-hydroxybenzoic acid
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             7.987
      B             5.71
      C             1.473
  

         Hz     ppm     Int.


       3192.02   7.988    113
    588.62   1.473   1000

in CDCl3

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KBr disc

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nujol mull

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