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935-56-8

1-氯代金刚烷(935-56-8)核磁图(13CNMR)

产品名称:1-氯代金刚烷

CAS:935-56-8

分子式:C10H15Cl

分子量: 170.68

InChI:InChI=1S/C10H15Cl/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2

InChIKey: OZNXTQSXSHODFR-UHFFFAOYSA-N

Smiles:C12(Cl)CC3CC(CC(C3)C1)C2

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    Mass

    MS-NW-2314          
    1-chloroadamantane
    C10H15Cl            (Mass of molecular ion:    170)
    

       Source Temperature: 280 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          18.0       1.0
          27.0       2.6
          29.0       1.2
          39.0       4.6
          41.0       4.8
          51.0       1.5
          53.0       2.5
          55.0       2.4
          65.0       2.3
          67.0       5.3
          69.0       1.1
          77.0       5.4
          78.0       1.8
          79.0      15.0
          80.0       3.2
          81.0       4.5
          91.0       4.6
          92.0       2.0
          93.0      12.7
          94.0       1.4
         105.0       1.1
         107.0       4.3
         113.0       1.1
         135.0     100.0
         136.0      11.3
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C10 H15 Cl 0.042 g : 0.5 ml CDCl3
    1-chloroadamantane
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.14 B 1.68

         Hz     ppm     Int.
    

        191.44   2.138   1000
        150.06   1.676    357
    

in CDCl3

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CCl4 solution

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KBr disc

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nujol mull

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4880 A,200 M,powder

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