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异硫氰酸1-金刚烷酯

产品名称 异硫氰酸1-金刚烷酯

CAS号4411-26-1

分子式C11H15NS

分子量193.31

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  • Mass

    MS-IW-8191          
    1-adamantyl isothiocyanate
    C11H15NS            (Mass of molecular ion:    193)
    

       Source Temperature: 140 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          27.0       1.0
          39.0       2.2
          41.0       3.2
          53.0       1.6
          55.0       2.7
          65.0       1.3
          67.0       5.6
          69.0       1.6
          77.0       3.8
          78.0       1.3
          79.0      14.1
          80.0       1.2
          81.0       4.2
          91.0       3.4
          93.0      13.0
          94.0       1.1
         107.0       5.2
         135.0     100.0
         136.0      11.6
         193.0      21.3
         194.0       2.9
         195.0       1.1
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C11 H15 N S 0.039 g : 0.5 ml CDCl3
    1-adamantyl isothiocyanate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.11 B 1.980 C *1 1.67 D *1 1.65

         Hz     ppm     Int.
    

        857.91   2.147     21
        845.09   2.115    280
        792.85   1.984   1000
        790.04   1.977    969
        782.10   1.957     63
        779.17   1.950     51
        677.37   1.695     74
        663.94   1.662    541
        661.74   1.656    562
        651.86   1.632     63
        650.88   1.629     65
        648.56   1.623     74
    

in CDCl3



KBr disc



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