Cyclohexanemethanol(100-49-2) 13C NMR
Product NameCyclohexanemethanol
CAS100-49-2
Molecular FormulaC7H14O
Molecular Weight114.19
InChIInChI=1S/C7H14O/c8-6-7-4-2-1-3-5-7/h7-8H,1-6H2
InChIKey VSSAZBXXNIABDN-UHFFFAOYSA-N
SmilesC1(CO)CCCCC1
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MassMS-NW-4981 cyclohexanemethanol C7H14O (Mass of molecular ion: 114)
Source Temperature: 250 °C Sample Temperature: 180 °C Reservoir, 75 eV
18.0 1.4 27.0 10.0 28.0 1.6 29.0 9.1 31.0 7.3 39.0 11.7 40.0 1.9 41.0 45.9 42.0 4.0 43.0 5.2 44.0 1.0 51.0 1.6 53.0 5.5 54.0 12.3 55.0 100.0 56.0 5.9 57.0 3.2 65.0 1.1 66.0 3.4 67.0 37.2 68.0 14.6 69.0 2.0 77.0 2.1 79.0 3.8 81.0 40.2 82.0 27.2 83.0 77.3 84.0 5.6 95.0 3.1 96.0 21.2 97.0 1.8 107.0 1.2 108.0 1.7
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C7 H14 O 0.04 ml : 0.5 ml CDCl3 cyclohexanemethanol 
Assign. Shift(ppm)
A 0.65 to 1.57 B 1.91 to 1.57 C 2.13 D 3.411
Hz ppm Int.308.81 3.449 743 305.44 3.411 55 302.81 3.382 857 190.75 2.130 1000 161.94 1.809 208 158.31 1.768 200 152.13 1.699 373 121.63 1.359 110 109.19 1.220 201 101.31 1.132 175 95.44 1.066 128 86.31 0.964 105 74.75 0.835 66
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1H NMR 399.65 MHz C7 H14 O 0.05 ml : 0.5 ml CDCl3 cyclohexanemethanol Assign. Shift(ppm)
A 3.388 B 2.99 C 1.78 to 1.71 D 1.67 E 1.455 F 1.23 G 1.17 J 0.912
Hz ppm Int.1357.54 3.397 991 1351.07 3.381 1000 1194.34 2.989 289 708.01 1.772 293 706.18 1.767 324 704.59 1.764 339 700.93 1.754 353 697.14 1.745 519 695.92 1.742 521 694.21 1.738 577 692.87 1.734 513 687.38 1.720 344 683.96 1.712 357 681.52 1.706 266 678.22 1.698 180 676.15 1.692 192 675.17 1.690 198 673.58 1.686 202 672.24 1.683 157 670.53 1.678 139 668.95 1.674 119 668.09 1.672 121 666.14 1.667 132 664.55 1.663 145 663.09 1.660 166 661.50 1.656 165 660.03 1.652 127 658.45 1.648 119 656.98 1.644 81 655.03 1.640 50 599.85 1.501 51 596.56 1.493 78 593.38 1.485 102 591.67 1.481 81 590.09 1.477 93 588.26 1.472 121 586.91 1.469 84 585.21 1.465 166 581.91 1.457 205 580.44 1.453 86 578.61 1.448 159 576.90 1.444 100 575.44 1.440 121 573.85 1.436 111 572.14 1.432 78 570.43 1.428 129 567.14 1.420 88 563.96 1.412 65 560.67 1.403 34 520.39 1.303 57 516.36 1.293 86 513.18 1.285 56 511.60 1.281 49 508.18 1.272 158 507.20 1.270 160 505.62 1.266 171 503.78 1.261 228 500.73 1.253 163 494.51 1.238 272 491.33 1.230 373 489.14 1.224 197 488.53 1.223 194 481.81 1.206 231 478.76 1.198 364 476.44 1.193 236 470.34 1.177 144 467.65 1.171 248 464.60 1.163 161 460.82 1.154 38 460.21 1.152 38 458.25 1.147 76 455.20 1.139 176 452.15 1.132 99 446.04 1.117 37 442.87 1.109 68 439.58 1.100 40 382.69 0.958 142 379.52 0.950 155 370.73 0.928 272 367.43 0.920 339 363.53 0.910 75 358.28 0.897 245 355.83 0.891 254 346.56 0.868 93 342.41 0.857 85
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
