3,3,5,5-TETRAMETHYLCYCLOHEXANOL(2650-40-0) MS
Product Name3,3,5,5-TETRAMETHYLCYCLOHEXANOL
CAS2650-40-0
Molecular FormulaC10H20O
Molecular Weight156.27
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MassMS-IW-0568 3,3,5,5-tetramethylcyclohexanol C10H20O (Mass of molecular ion: 156)
Source Temperature: 260 °C Sample Temperature: 130 °C Reservoir, 75 eV
27.0 4.3 28.0 1.3 29.0 11.8 39.0 5.4 40.0 1.1 41.0 24.4 42.0 1.5 43.0 13.7 44.0 2.7 45.0 1.6 53.0 3.2 55.0 20.3 56.0 25.3 57.0 44.8 58.0 2.5 59.0 3.5 67.0 9.1 68.0 2.2 69.0 8.3 70.0 2.5 71.0 5.1 79.0 1.7 81.0 23.0 82.0 13.6 83.0 8.3 84.0 1.0 85.0 26.5 86.0 1.5 95.0 8.5 96.0 3.0 97.0 16.1 98.0 1.3 99.0 1.2 109.0 6.1 110.0 4.2 123.0 100.0 124.0 10.4 138.0 4.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H20 O 0.029 g : 0.5 ml CDCl3 3,3,5,5-tetramethylcyclohexanol 
Assign. Shift(ppm)
A 3.914 B 1.736 C 1.54 D 1.213 E 1.05 F 1.012 G 1.00 J 0.931 ASSIGNED BY CH-COSY
Hz ppm Int.1564.33 3.915 39 703.37 1.760 47 702.03 1.757 47 701.29 1.755 53 700.07 1.752 46 699.22 1.750 52 697.88 1.747 46 697.27 1.745 52 691.89 1.732 32 690.67 1.729 55 689.94 1.727 52 688.60 1.724 59 686.65 1.719 56 684.69 1.714 49 616.82 1.544 77 493.16 1.234 49 481.45 1.205 42 479.49 1.200 73 477.42 1.195 38 425.42 1.065 81 411.74 1.031 136 404.54 1.013 797 400.88 1.004 118 400.27 1.002 119 396.36 0.992 37 388.55 0.973 60 387.94 0.971 57 372.07 0.931 1000 359.50 0.900 37
in CDCl3
KBr disc
nujol mull
