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1020-31-1

3,5-二叔丁基苯邻二酚(1020-31-1)核磁图(13CNMR)

分子式:C14H22O2

分子量: 222.32

InChI:InChI=1S/C14H22O2/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9/h7-8,15-16H,1-6H3

InChIKey: PJZLSMMERMMQBJ-UHFFFAOYSA-N

Smiles:C1(O)=CC(C(C)(C)C)=CC(C(C)(C)C)=C1O

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    Mass

    MS-NW-6527          
    3,5-di-tert-butylpyrocatechol
    C14H22O2            (Mass of molecular ion:    222)
    

       Source Temperature: 240 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          17.0       1.3
          18.0       5.9
          27.0       2.2
          29.0       5.8
          39.0       3.6
          41.0      10.3
          43.0       1.4
          51.0       2.1
          53.0       1.7
          55.0       2.1
          57.0      32.9
          58.0       1.5
          65.0       1.8
          67.0       1.1
          68.0       2.7
          74.0       1.0
          77.0       3.7
          78.0       1.0
          79.0       1.7
          81.0       1.9
          82.0       5.9
          91.0       3.8
          93.0       1.8
          96.0       2.8
         103.0       1.2
         105.0       2.0
         107.0       1.2
         108.0       4.4
         115.0       1.6
         119.0       1.4
         121.0       1.2
         123.0       2.1
         131.0       1.1
         133.0       1.3
         135.0       1.5
         136.0       1.4
         137.0       1.3
         149.0       6.5
         150.0       1.4
         151.0       1.8
         163.0       1.3
         164.0       3.5
         165.0       1.6
         177.0       2.7
         179.0       3.9
         191.0       3.6
         192.0       3.6
         207.0     100.0
         208.0      15.0
         209.0       1.4
         222.0      25.7
         223.0       4.0
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C14 H22 O2 0.043 g : 0.5 ml CDCl3
    3,5-di-tert-butylpyrocatechol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.886 B 6.737 C 5.08 D 1.411 E 1.257

         Hz     ppm     Int.
    

        617.94   6.900     24
        615.75   6.876     32
        604.38   6.749     45
        602.13   6.724     35
        455.06   5.082     69
        126.44   1.412   1000
        112.56   1.257    826
    

in CDCl3

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KBr disc

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nujol mull

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