3-CYCLOHEXENE-1,1-DIMETHANOL(2160-94-3) ¹H NMR

Product Name3-CYCLOHEXENE-1,1-DIMETHANOL

CAS 2160-94-3

Molecular FormulaC8H14O2

Molecular Weight142.2

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Mass

MS-IW-0860          
3-cyclohexene-1,1-dimethanol
C8H14O2             (Mass of molecular ion:    142)

   Source Temperature: 130 °C
   Sample Temperature:  90 °C
   Direct, 75 eV

      27.0       3.7
      28.0       1.5
      29.0       4.3
      31.0       6.3
      39.0       7.7
      40.0       1.3
      41.0      14.2
      42.0       1.9
      43.0       6.4
      51.0       2.1
      52.0       1.0
      53.0       7.0
      54.0       9.5
      55.0      17.5
      56.0       1.5
      57.0      28.5
      58.0       1.2
      65.0       4.4
      66.0       5.8
      67.0      28.6
      68.0      31.1
      69.0       6.6
      70.0       5.1
      77.0      37.6
      78.0     100.0
      79.0      59.6
      80.0      15.3
      81.0      24.3
      82.0       4.6
      83.0       5.0
      87.0       1.0
      91.0      82.8
      92.0      11.8
      93.0      90.3
      94.0      29.0
      95.0      23.8
      96.0       8.0
     105.0       6.0
     106.0      85.6
     107.0       9.3
     109.0       7.9
     110.0       1.8
     111.0       6.3
     123.0       1.0
     124.0      48.2
     125.0       4.9

400 MHz at 59.0C

¹H NMR	399.65 MHz
C₈ H₁₄ O₂	0.049 g : 0.5 ml CDCl₃ at 60C
3-cyclohexene-1,1-dimethanol

    Assign.     Shift(ppm)

      A             5.675
      B             5.596
      C             3.579
      D             2.98
      E             2.023
      F             1.814
      G             1.560
     
     ASSIGNED BY H-H COSY

     Hz     ppm     Int.

   2276.73   5.697     30
   2274.78   5.692     47
   2268.19   5.676     43
   2266.72   5.672     50
   2264.65   5.667     84
   2262.70   5.662     55
   2261.23   5.659     48
   2243.90   5.615     45
   2242.19   5.611     59
   2240.23   5.606     88
   2238.28   5.601     57
   2236.57   5.597     46
   2233.89   5.590     31
   2232.06   5.586     33
   2230.22   5.581     51
   2228.27   5.576     35
   1430.42   3.580   1000
   1189.58   2.977    140
    818.48   2.048     36
    815.80   2.042     46
    814.82   2.039     59
    812.13   2.033     94
    809.94   2.027     99
    809.33   2.026     94
    808.47   2.023     96
    807.25   2.020     66
    806.27   2.018    101
    803.59   2.011     77
    802.12   2.008     54
    800.05   2.002     47
    730.71   1.829     55
    728.15   1.822    133
    724.73   1.814    163
    722.29   1.808    139
    719.85   1.802     58
    629.88   1.577    168
    623.41   1.560    313
    616.94   1.544    155

in CDCl3