2-Cyclohexylethanol (4442-79-9) IR1
Product Name2-Cyclohexylethanol
CAS4442-79-9
Molecular FormulaC8H16O
Molecular Weight128.21
InChIInChI=1S/C8H16O/c9-7-6-8-4-2-1-3-5-8/h8-9H,1-7H2
InChIKey QJQZRLXDLORINA-UHFFFAOYSA-N
SmilesC1(CCO)CCCCC1
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MassMS-NW-2108 2-cyclohexylethanol C8H16O (Mass of molecular ion: 128)
Source Temperature: 260 °C Sample Temperature: 170 °C Reservoir, 75 eV
18.0 2.5 27.0 12.4 28.0 3.3 29.0 11.8 31.0 10.3 39.0 16.2 40.0 2.8 41.0 46.5 42.0 6.8 43.0 6.8 44.0 2.1 45.0 1.4 46.0 1.0 51.0 1.9 52.0 1.0 53.0 7.4 54.0 25.6 55.0 78.0 56.0 6.4 57.0 4.5 65.0 2.2 66.0 4.1 67.0 73.2 68.0 26.9 69.0 14.9 70.0 1.1 77.0 1.8 79.0 3.9 80.0 5.0 81.0 100.0 82.0 97.7 83.0 26.4 84.0 1.6 91.0 5.2 92.0 3.0 95.0 17.5 96.0 1.5 97.0 1.6 109.0 2.4 110.0 33.9 111.0 3.1 122.0 1.5
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C8 H16 O 0.05 ml : 0.5 ml CDCl3 2-cyclohexylethanol 
Assign. Shift(ppm)
A 3.646 B 2.61 C 1.84 to 1.58 D 1.452 E 1.38 F 1.23 G 1.16 J 0.920 ASSIGNED BY H-H COSY.
Hz ppm Int.1469.48 3.677 38 1464.11 3.664 548 1457.28 3.647 1000 1450.44 3.630 592 1445.19 3.617 30 1039.43 2.601 202 689.82 1.727 236 688.35 1.723 258 686.28 1.718 299 684.94 1.714 314 683.35 1.710 273 682.01 1.707 322 678.10 1.697 366 676.51 1.693 367 675.17 1.690 384 674.07 1.687 372 672.12 1.682 323 668.82 1.674 300 667.36 1.670 296 665.77 1.666 278 659.91 1.652 101 658.45 1.648 90 657.47 1.646 93 655.15 1.640 98 654.17 1.637 104 652.47 1.633 117 651.12 1.630 111 649.54 1.626 84 647.95 1.622 76 646.36 1.618 53 592.04 1.482 184 585.21 1.465 484 578.13 1.447 708 571.41 1.430 347 568.97 1.424 83 565.92 1.417 63 563.60 1.411 56 561.40 1.405 89 558.23 1.397 122 555.30 1.390 90 552.37 1.383 92 550.66 1.378 102 547.49 1.370 93 544.68 1.363 79 541.14 1.355 64 540.16 1.352 55 537.11 1.344 44 533.81 1.336 33 516.48 1.293 43 512.45 1.283 71 509.40 1.275 47 507.45 1.270 44 503.78 1.261 124 503.17 1.260 124 501.46 1.255 137 499.88 1.251 164 497.19 1.245 118 490.36 1.227 203 487.30 1.220 224 478.39 1.198 174 474.98 1.189 224 472.90 1.184 190 469.12 1.174 43 466.55 1.168 102 463.99 1.161 131 461.55 1.155 101 454.59 1.138 54 451.54 1.130 108 448.61 1.123 58 439.21 1.099 38 384.64 0.963 104 382.08 0.957 115 370.00 0.926 221 359.38 0.900 196 349.24 0.874 65 345.46 0.865 52
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1H NMR 89.56 MHz C8 H16 O 0.04 ml : 0.5 ml CDCl3 2-cyclohexylethanol Assign. Shift(ppm)
A 3.655 B 1.99 C 1.88 to 0.62 400MHZ : HSP-41-240
Hz ppm Int.334.38 3.734 165 329.44 3.679 57 327.63 3.659 383 321.06 3.585 204 177.81 1.986 1000 158.31 1.768 132 157.94 1.764 131 155.25 1.734 135 153.31 1.712 117 149.13 1.666 224 149.00 1.664 224 147.81 1.651 211 140.50 1.569 73 135.19 1.510 136 129.56 1.447 201 128.69 1.437 191 124.50 1.391 133 122.19 1.365 116 119.75 1.338 76 119.38 1.333 75 118.63 1.325 73 118.31 1.322 73 118.00 1.318 73 116.25 1.299 64 115.75 1.293 64 112.13 1.253 60 108.25 1.209 126 102.63 1.146 85 100.75 1.125 108 99.38 1.110 106 99.00 1.106 105 96.06 1.073 65 94.63 1.057 72 94.31 1.054 72 89.38 0.998 46 88.94 0.994 46 88.31 0.987 45 87.81 0.981 46 86.50 0.966 51 86.13 0.962 52 85.31 0.953 54 84.63 0.945 53 84.31 0.942 53 84.00 0.938 53 81.81 0.914 44 80.25 0.897 40 79.94 0.893 39 78.63 0.878 36 78.19 0.874 36 77.19 0.862 37 76.75 0.857 37 75.88 0.848 35 75.38 0.842 36 74.69 0.834 35 74.31 0.830 35
in CDCl3
liquid film
