2-CYCLOHEXEN-1-OL(822-67-3) Raman
Product Name2-CYCLOHEXEN-1-OL
CAS822-67-3
Molecular FormulaC6H10O
Molecular Weight98.14
InChIInChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2
InChIKey PQANGXXSEABURG-UHFFFAOYSA-N
SmilesC1(O)CCCC=C1
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MassMS-KW-0253 2-cyclohexen-1-ol C6H10O (Mass of molecular ion: 98)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.8 17.0 2.6 18.0 9.8 26.0 3.3 27.0 20.0 28.0 4.6 29.0 11.2 31.0 4.2 37.0 2.4 38.0 5.0 39.0 32.3 40.0 7.0 41.0 28.7 42.0 16.9 43.0 16.1 44.0 4.5 47.0 1.0 49.0 1.3 50.0 9.0 51.0 14.2 52.0 10.0 53.0 10.2 54.0 10.8 55.0 30.2 56.0 5.3 57.0 13.6 58.0 1.1 62.0 1.1 63.0 2.2 65.0 5.7 66.0 1.9 67.0 9.0 68.0 3.6 69.0 22.9 70.0 100.0 71.0 5.2 74.0 2.2 75.0 1.2 77.0 33.9 78.0 13.8 79.0 78.4 80.0 38.9 81.0 6.6 82.0 2.3 83.0 35.3 84.0 2.0 95.0 1.2 97.0 29.7 98.0 35.5 99.0 2.8
400 MHz in CDCl3
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1H NMR 399.65 MHz C6H10O 0.05 ml : 0.5 ml CDCl3 2-cyclohexen-1-ol 
Assign. Shift(ppm)
A 5.800 B 5.739 C 4.179 D 2.8 E *1 2.02 F *1 1.86 G *2 1.74 J *2 1.61 K *2 1.57 assigned by C-H COSY
Hz ppm Int.2329.23 5.827 181 2328.13 5.824 182 2325.81 5.818 306 2324.59 5.815 288 2322.27 5.809 184 2321.17 5.807 175 2319.22 5.802 314 2318.00 5.799 326 2315.68 5.793 570 2314.46 5.790 569 2312.14 5.784 336 2311.04 5.781 329 2300.66 5.755 311 2298.71 5.750 516 2295.90 5.743 483 2293.71 5.738 250 2288.70 5.725 249 2285.77 5.718 260 2283.57 5.713 145 1672.49 4.184 395 1671.51 4.182 383 1669.44 4.176 344 1668.46 4.174 304 1109.50 2.776 1000 824.83 2.064 86 822.88 2.059 104 821.54 2.055 107 819.46 2.050 121 817.51 2.045 114 815.56 2.040 106 812.38 2.033 129 810.31 2.027 173 808.23 2.022 163 806.89 2.019 237 804.94 2.014 249 803.23 2.010 316 801.40 2.005 306 799.44 2.000 316 797.49 1.995 279 795.54 1.990 177 793.95 1.986 216 792.00 1.982 208 790.41 1.978 180 788.58 1.973 241 786.38 1.968 293 783.70 1.961 323 782.84 1.959 294 780.40 1.953 270 778.69 1.948 193 776.98 1.944 159 770.39 1.928 105 768.32 1.922 124 764.78 1.913 130 761.11 1.904 192 758.67 1.898 193 755.74 1.891 159 753.55 1.885 185 749.64 1.876 283 744.76 1.863 291 740.12 1.852 297 735.11 1.839 216 727.18 1.819 73 716.92 1.794 62 709.48 1.775 121 703.62 1.760 261 701.05 1.754 192 699.10 1.749 235 693.00 1.734 296 687.50 1.720 209 685.06 1.714 202 682.74 1.708 192 678.84 1.699 97 676.40 1.692 104 656.74 1.643 194 654.18 1.637 98 650.40 1.627 202 647.59 1.620 320 645.15 1.614 311 641.12 1.604 355 639.04 1.599 410 638.07 1.597 415 634.89 1.589 468 633.43 1.585 429 632.09 1.582 433 630.99 1.579 361 629.16 1.574 432 626.96 1.569 363 623.42 1.560 226 621.22 1.554 194 620.00 1.551 206 617.56 1.545 179 614.26 1.537 169 612.07 1.531 99 610.72 1.528 90 607.67 1.520 71 605.11 1.514 75
in CDCl3
liquid film
