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1660-04-4

1-金剛烷甲酮(1660-04-4)Raman光譜

產(chǎn)品名稱:1-金剛烷甲酮

CAS:1660-04-4

分子式:C12H18O

分子量: 178.27

InChI:InChI=1S/C12H18O/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3

InChIKey: DACIGVIOAFXPHW-UHFFFAOYSA-N

Smiles:C(=O)(C12CC3CC(CC(C3)C1)C2)C

  • 圖譜
    Mass 

    MS-NW-9169          
1-adamantyl methyl ketone
C12H18O             (Mass of molecular ion:    178)


       Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV


          27.0       1.6
      29.0       1.4
      39.0       2.8
      41.0       5.2
      43.0       9.7
      53.0       2.1
      55.0       3.9
      65.0       1.5
      67.0       8.3
      69.0       2.3
      77.0       4.6
      78.0       1.2
      79.0      20.2
      80.0       1.7
      81.0       6.0
      91.0       4.2
      92.0       1.2
      93.0      19.5
      94.0       1.8
     105.0       1.0
     107.0       8.2
     135.0     100.0
     136.0      11.0
     160.0       1.1
     178.0       5.6

400 MHz in CDCl3

  • 圖譜

    1H NMR 399.65 MHz
    C12 H18 O 0.033 g : 0.5 ml CDCl3
    1-adamantyl methyl ketone
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             2.096
      B             2.047
      C             1.807
      D     *1      1.75
      E     *1      1.69
  

         Hz     ppm     Int.


        840.33   2.103     40
    837.89   2.097   1000
    826.05   2.067     32
    818.24   2.048     96
    723.63   1.811    321
    720.83   1.804    294
    707.76   1.771     45
    695.07   1.740    101
    680.54   1.703    101
    679.08   1.700     93
    676.64   1.694     56
    668.21   1.672     42
    664.43   1.663     24

in CDCl3

  • 圖譜

KBr disc

  • 圖譜

nujol mull

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