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1012-72-2

对二叔丁基苯(1012-72-2)质谱(MS)

产品名称:对二叔丁基苯

CAS:1012-72-2

分子式:C14H22

分子量: 190.32

InChI:InChI=1S/C14H22/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6/h7-10H,1-6H3

InChIKey: OOWNNCMFKFBNOF-UHFFFAOYSA-N

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

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    Mass

    MS-IW-0080          
    p-di-tert-butylbenzene
    C14H22              (Mass of molecular ion:    190)
    

       Source Temperature: 260 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          29.0       1.4
          39.0       1.4
          41.0       5.0
          57.0      14.9
          64.0       1.4
          65.0       3.3
          66.0       1.7
          77.0       1.6
          79.0       1.5
          79.5       1.1
          80.0       2.6
          91.0       4.6
         105.0       2.2
         115.0       2.2
         117.0       3.6
         119.0       1.9
         128.0       1.4
         129.0       1.2
         131.0       1.8
         133.0       1.4
         145.0       6.3
         147.0       2.1
         159.0       2.2
         160.0      11.2
         161.0       1.6
         175.0     100.0
         176.0      14.2
         190.0      14.0
         191.0       2.2
    

parameter in CDCl3

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    1H NMR 300 MHz
    C14 H22 0.049 g : 0.5 ml CDCl3
    p-di-tert-butylbenzene
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.320 D(B) 1.311

         Hz     ppm     Int.
    

       2196.00   7.320    222
        393.29   1.311   1000
    

in CDCl3

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KBr disc

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nujol mull

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