700-57-2

2-Adamantanol(700-57-2) MS

Product Name2-Adamantanol

CAS 700-57-2

Molecular FormulaC10H16O

Molecular Weight152.23

InChIInChI=1S/C10H16O/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-11H,1-5H2

InChIKey FOWDOWQYRZXQDP-UHFFFAOYSA-N

SmilesC12CC3CC(CC(C3)C1O)C2

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2-Adamantanol(700-57-2) MS
Mass

MS-NW-7224          
tricyclo(3.3.1.1(3,7))decan-2-ol
C10H16O             (Mass of molecular ion:    152)

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

      27.0       6.1
      29.0       4.0
      31.0       2.1
      39.0      10.0
      40.0       1.5
      41.0      15.1
      42.0       1.5
      43.0       2.8
      51.0       2.7
      52.0       1.4
      53.0       6.0
      54.0       3.1
      55.0       8.2
      56.0       9.5
      57.0       5.4
      65.0       3.4
      66.0       6.4
      67.0      15.7
      68.0       2.1
      69.0       1.8
      70.0       2.4
      71.0       1.9
      77.0       9.4
      78.0      14.0
      79.0      47.6
      80.0      23.1
      81.0      12.3
      82.0       1.4
      83.0       1.9
      91.0      22.0
      92.0      51.5
      93.0      26.8
      94.0       2.9
      95.0       3.7
     105.0       9.3
     106.0       5.9
     107.0       1.9
     109.0       2.2
     119.0      13.4
     120.0       1.5
     121.0       1.7
     133.0       1.7
     134.0     100.0
     135.0      11.5
     151.0       3.9
     152.0       4.7

400 MHz in DMSO-d6

2-Adamantanol(700-57-2) MS

¹H NMR	399.65 MHz
C₁₀ H₁₆ O	0.040 g : 0.5 ml DMSO-d₆
tricyclo(3.3.1.1(3,7))decan-2-ol

    Assign.     Shift(ppm)

      A             4.540
      B             3.65
      C     *1      2.063
      D     *2      1.74
      E     *2      1.65
      F     *1      1.374
     
     ASSIGNED BY C-H COSY.

     Hz     ppm     Int.

   1816.41   4.546    495
   1813.11   4.537    501
   1461.30   3.657    209
   1459.23   3.652    216
    830.81   2.079    228
    818.85   2.049    245
    701.78   1.756    266
    693.73   1.736   1000
    684.69   1.714    199
    684.20   1.712    199
    680.91   1.704    206
    668.95   1.674     35
    668.58   1.673     35
    658.69   1.649    712
    646.00   1.617    178
    554.81   1.389    274
    543.21   1.360    258

in DMSO-d6