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768-95-6

1-金刚烷醇(768-95-6)核磁图(13CNMR)

产品名称:1-金刚烷醇

CAS:768-95-6

分子式:C10H16O

分子量: 152.23

InChI:InChI=1S/C10H16O/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9,11H,1-6H2

InChIKey: VLLNJDMHDJRNFK-UHFFFAOYSA-N

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

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    Mass

    MS-NW-7223          
    1-adamantanol
    C10H16O             (Mass of molecular ion:    152)
    

       Source Temperature: 210 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          27.0       2.7
          29.0       1.8
          39.0       4.9
          40.0       1.0
          41.0       6.9
          43.0       2.8
          51.0       1.1
          53.0       2.5
          55.0       2.8
          65.0       1.5
          66.0       1.0
          67.0       3.8
          68.0       1.8
          69.0       1.3
          77.0       4.8
          78.0       1.0
          79.0       5.2
          81.0       2.0
          91.0       1.9
          93.0       1.6
          94.0      10.6
          95.0     100.0
          96.0       8.5
         109.0       4.6
         152.0      21.5
         153.0       2.5
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C10 H16 O 0.040 g : 0.5 ml CDCl3
    1-adamantanol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.137 B 1.715 C 1.70 D *1 1.63 E *1 1.60

         Hz     ppm     Int.
    

        854.25   2.138    297
        687.13   1.720   1000
        684.20   1.712    933
        681.15   1.705    562
        661.62   1.656    101
        649.29   1.625    357
        641.48   1.606    365
        629.39   1.575     98
    

in CDCl3

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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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