770-71-8

1-Adamantanemethanol(770-71-8) IR1

Product Name1-Adamantanemethanol

CAS 770-71-8

Molecular FormulaC11H18O

Molecular Weight166.26

InChIInChI=1S/C11H18O/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10,12H,1-7H2

InChIKey MDVGOOIANLZFCP-UHFFFAOYSA-N

SmilesC12(CO)CC3CC(CC(C3)C1)C2

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1-Adamantanemethanol(770-71-8) IR1
Mass

MS-NW-2585          
(1-adamantyl)methanol
C11H18O             (Mass of molecular ion:    166)

   Source Temperature: 260 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      27.0       1.5
      29.0       1.3
      31.0       1.2
      39.0       2.8
      41.0       4.9
      53.0       1.8
      55.0       3.7
      65.0       1.2
      67.0       6.5
      69.0       1.7
      77.0       3.6
      79.0      16.2
      80.0       1.5
      81.0       5.2
      91.0       3.5
      92.0       1.5
      93.0      15.0
      94.0       1.3
     105.0       1.0
     107.0       5.8
     135.0     100.0
     136.0      11.0
     166.0       3.0

90 MHz in CDCl3

1-Adamantanemethanol(770-71-8) IR1

¹H NMR	89.56 MHz
C₁₁ H₁₈ O	0.042 g : 0.5 ml CDCl₃
(1-adamantyl)methanol

    Assign.     Shift(ppm)

      A             3.193
      B             1.98
      C             1.69
      D             1.51
     
     J(B,D)=3.0HZ.

     Hz     ppm     Int.

    286.00   3.194   1000
    178.31   1.991    204
    176.19   1.968    193
    164.56   1.838     37
    154.06   1.721    456
    151.94   1.697    836
    143.31   1.601     38
    141.50   1.580     52
    141.13   1.576     54
    136.75   1.527    812
    133.75   1.494    727

in CDCl3