Product Name3,4-DIMETHYLCYCLOHEXANOL
CAS5715-23-1
Molecular FormulaC8H16O
Molecular Weight128.21
InChIInChI=1S/C8H16O/c1-6-3-4-8(9)5-7(6)2/h6-9H,3-5H2,1-2H3
InChIKey ZBAXJUPCYVIBSP-UHFFFAOYSA-N
SmilesC1(O)CCC(C)C(C)C1
Mass
MS-NW-2115 3,4-dimethylcyclohexanol C8H16O (Mass of molecular ion: 128)
Source Temperature: 260 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 1.8 18.0 4.2 26.0 1.0 27.0 17.0 28.0 2.2 29.0 16.6 31.0 5.4 39.0 17.3 40.0 3.2 41.0 45.8 42.0 8.8 43.0 50.1 44.0 19.2 45.0 5.4 51.0 2.2 52.0 1.0 53.0 8.7 54.0 6.8 55.0 38.0 56.0 26.3 57.0 26.8 58.0 8.4 59.0 1.1 65.0 1.7 66.0 2.4 67.0 22.0 68.0 32.6 69.0 44.4 70.0 12.7 71.0 100.0 72.0 7.8 73.0 1.6 77.0 1.9 79.0 2.3 80.0 2.9 81.0 49.9 82.0 26.9 83.0 4.7 84.0 19.5 85.0 4.6 91.0 1.4 93.0 1.8 95.0 76.2 96.0 6.1 97.0 1.5 109.0 5.1 110.0 51.6 111.0 4.9 127.0 1.7 128.0 1.2
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C8 H16 O | 0.04 ml : 0.5 ml CDCl3 |
3,4-dimethylcyclohexanol |
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Assign. Shift(ppm) |
Hz ppm Int.
176.13 1.967 30 172.56 1.927 36 172.25 1.924 35 171.88 1.920 33 170.44 1.904 37 168.19 1.878 53 167.75 1.874 54 167.00 1.865 51 165.81 1.852 48 163.00 1.821 1000 156.19 1.744 86 154.44 1.725 94 153.13 1.710 81 152.19 1.700 95 151.31 1.690 87 150.31 1.679 100 149.69 1.672 101 147.25 1.645 93 145.50 1.625 121 142.94 1.597 117 141.25 1.578 95 139.50 1.558 136 137.00 1.530 124 135.75 1.516 104 135.44 1.513 104 133.13 1.487 83 131.25 1.466 100 128.19 1.432 53 126.94 1.418 65 125.94 1.407 70 122.69 1.370 99 119.94 1.340 56 117.88 1.317 45 116.69 1.303 38 115.56 1.291 40 113.50 1.268 83 111.88 1.250 54 111.25 1.243 56 109.25 1.220 60 108.13 1.208 38 106.69 1.192 32 106.25 1.187 33 105.06 1.174 32 104.56 1.168 34 103.75 1.159 41 102.06 1.140 32 98.63 1.102 44 97.50 1.089 36 97.13 1.085 37 96.19 1.075 39 95.38 1.065 40 93.75 1.047 32 91.38 1.021 43 91.00 1.017 46 90.25 1.008 47 88.63 0.990 55 84.19 0.941 182 82.13 0.918 407 78.94 0.882 521 77.38 0.865 351 75.88 0.848 285 72.38 0.809 500 70.81 0.791 186
CCl4 solution
liquid film
4880 A,200 M,liquid
3,4-DIMETHYLCYCLOHEXANOL(5715-23-1) Raman Atlas of Related Products
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