1-Adamantanol(768-95-6) MS

Product Name1-Adamantanol

CAS 768-95-6

Molecular FormulaC10H16O

Molecular Weight152.23

InChIInChI=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

SmilesC12(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

¹H NMR	399.65 MHz
C₁₀ H₁₆ O	0.040 g : 0.5 ml CDCl₃
1-adamantanol

    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