1-Phenethylcyclohexanol(124620-30-0) MS
Product Name1-Phenethylcyclohexanol
CAS124620-30-0
Molecular FormulaC14H20O
Molecular Weight204.31
InChIInChI=1S/C14H20O/c15-14(10-5-2-6-11-14)12-9-13-7-3-1-4-8-13/h1,3-4,7-8,15H,2,5-6,9-12H2
InChIKey AVZUHEPSGPBJFL-UHFFFAOYSA-N
SmilesC1(CCC2=CC=CC=C2)(O)CCCCC1
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MassMS-IW-9224 1-phenethylcyclohexanol C14H20O (Mass of molecular ion: 204)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 3.9 27.0 5.1 28.0 1.3 29.0 4.9 31.0 1.2 39.0 7.7 40.0 1.0 41.0 12.3 42.0 2.2 43.0 12.2 50.0 1.1 51.0 4.5 52.0 1.6 53.0 5.1 54.0 1.1 55.0 15.0 56.0 1.0 57.0 4.9 63.0 2.4 65.0 11.9 66.0 1.5 67.0 10.4 69.0 2.2 70.0 2.6 71.0 3.2 76.0 1.5 77.0 8.2 78.0 4.2 79.0 10.7 80.0 2.6 81.0 37.2 82.0 5.5 83.0 1.8 89.0 2.5 91.0 100.0 92.0 16.1 93.0 4.2 94.0 10.9 95.0 35.2 96.0 2.8 98.0 2.1 99.0 67.4 100.0 4.6 103.0 3.4 104.0 68.9 105.0 19.1 106.0 4.9 108.0 1.3 115.0 3.9 116.0 1.1 117.0 4.7 118.0 1.6 119.0 1.3 121.0 1.2 127.0 1.3 128.0 4.8 129.0 11.3 130.0 8.0 131.0 2.3 133.0 3.7 141.0 1.3 143.0 13.6 144.0 2.6 148.0 2.7 158.0 1.8 161.0 12.6 162.0 1.9 178.0 5.1 186.0 51.2 187.0 7.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C14 H20 O 0.038 g : 0.5 ml CDCl3 1-phenethylcyclohexanol 
Assign. Shift(ppm)
A 7.273 B 7.20 C 7.17 D 2.697 E 1.756 F 1.65 to 1.56 K 1.52 L 1.49 M 1.32 N 1.29
Hz ppm Int.2916.14 7.297 245 2915.28 7.295 368 2913.82 7.291 169 2907.96 7.277 841 2902.47 7.263 306 2900.63 7.258 825 2893.92 7.242 34 2893.07 7.240 32 2892.58 7.238 32 2891.85 7.236 33 2891.24 7.235 34 2883.18 7.215 703 2881.84 7.211 1000 2879.52 7.206 268 2874.76 7.194 769 2874.27 7.192 759 2873.41 7.190 668 2867.80 7.176 204 2865.84 7.171 458 2863.77 7.166 130 2860.11 7.157 121 2858.64 7.153 181 2857.30 7.150 94 1086.79 2.720 550 1081.79 2.707 327 1078.25 2.698 460 1074.34 2.689 334 1069.46 2.676 593 710.33 1.778 964 705.57 1.766 454 702.03 1.757 546 701.05 1.755 530 698.12 1.747 429 692.99 1.734 871 661.25 1.655 79 659.55 1.651 69 651.00 1.629 226 649.41 1.625 230 647.46 1.621 261 640.75 1.604 552 632.81 1.584 499 626.22 1.567 602 616.94 1.544 183 608.40 1.523 504 605.22 1.515 499 600.59 1.503 605 597.53 1.496 334 596.68 1.494 333 591.31 1.480 590 578.13 1.447 148 528.93 1.324 721 521.24 1.305 160 519.90 1.301 169 516.60 1.293 90 514.28 1.287 95 510.50 1.278 130 501.46 1.255 51
in CDCl3
