HEXYLCYCLOHEXANE(4292-75-5) IR1
Product NameHEXYLCYCLOHEXANE
CAS4292-75-5
Molecular FormulaC12H24
Molecular Weight168.32
InChIInChI=1S/C12H24/c1-2-3-4-6-9-12-10-7-5-8-11-12/h12H,2-11H2,1H3
InChIKey QHWAQXOSHHKCFK-UHFFFAOYSA-N
SmilesC1(CCCCCC)CCCCC1
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MassMS-NW-3476 hexylcyclohexane C12H24 (Mass of molecular ion: 168)
Source Temperature: 270 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 5.4 29.0 7.6 39.0 5.5 40.0 1.0 41.0 21.7 42.0 3.8 43.0 10.5 53.0 2.5 54.0 4.6 55.0 47.1 56.0 8.8 57.0 4.6 67.0 12.5 68.0 3.2 69.0 10.2 70.0 4.3 71.0 1.2 81.0 2.4 82.0 61.4 83.0 100.0 84.0 10.7 85.0 1.2 97.0 4.5 98.0 1.4 111.0 1.3 168.0 8.1 169.0 1.2
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C12 H24 0.04 ml : 0.5 ml CDCl3 hexylcyclohexane 
Assign. Shift(ppm)
A 1.75 to 1.58 B 1.29 to 1.24 C 1.22 D 1.20 to 1.14 E 1.13 F 0.879 G 0.85
Hz ppm Int.680.91 1.704 180 680.05 1.702 174 677.12 1.695 159 673.83 1.687 162 672.61 1.683 182 671.02 1.680 198 670.17 1.677 209 669.56 1.676 208 668.33 1.673 197 665.16 1.665 164 664.06 1.662 154 661.87 1.657 134 660.89 1.654 123 655.27 1.640 49 653.56 1.636 42 652.71 1.634 42 649.90 1.627 52 647.83 1.621 60 646.48 1.618 56 644.90 1.614 43 643.31 1.610 39 526.61 1.318 52 519.90 1.301 113 518.80 1.299 111 514.65 1.288 164 513.31 1.285 167 512.45 1.283 168 502.93 1.259 667 502.08 1.257 662 500.00 1.252 593 494.38 1.238 152 492.43 1.233 126 490.11 1.227 132 487.67 1.221 89 486.94 1.219 90 485.11 1.214 72 480.83 1.204 132 477.66 1.196 158 474.61 1.188 108 468.87 1.174 263 466.55 1.168 301 462.40 1.158 200 460.57 1.153 173 458.01 1.147 156 455.93 1.141 140 452.03 1.132 43 450.81 1.129 44 448.61 1.123 42 445.68 1.116 63 442.87 1.109 34 358.64 0.898 349 351.81 0.881 1000 349.24 0.874 118 348.88 0.873 117 344.73 0.863 417 339.72 0.851 50 334.59 0.838 90 330.93 0.829 44
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1H NMR 89.56 MHz C12 H24 0.04 ml : 0.5 ml CDCl3 hexylcyclohexane Assign. Shift(ppm)
A 1.84 to 1.52 B 1.25 C 1.44 to 0.68 D 0.88
Hz ppm Int.156.38 1.747 134 154.94 1.731 126 153.81 1.718 136 151.88 1.696 122 147.44 1.647 230 147.13 1.643 230 146.38 1.635 222 137.38 1.534 45 136.63 1.526 40 136.50 1.525 40 136.06 1.520 40 135.63 1.515 38 135.00 1.508 38 134.69 1.504 38 133.81 1.495 37 133.31 1.489 37 133.00 1.486 35 132.31 1.478 35 132.00 1.474 35 131.25 1.466 33 130.63 1.459 33 129.38 1.445 37 128.00 1.430 42 127.50 1.424 43 127.19 1.421 45 126.75 1.416 45 126.19 1.409 47 125.25 1.399 49 123.81 1.383 58 123.50 1.379 59 112.00 1.251 1000 101.25 1.131 181 100.81 1.126 182 100.00 1.117 180 99.69 1.114 178 99.06 1.107 178 92.81 1.037 93 92.31 1.031 92 92.00 1.028 92 91.44 1.021 92 90.63 1.012 89 89.50 1.000 87 89.06 0.995 88 88.69 0.991 89 88.19 0.985 89 84.06 0.939 164 82.69 0.924 149 82.06 0.917 146 81.63 0.912 146 78.69 0.879 389 72.69 0.812 118 66.13 0.739 34
in CDCl3
liquid film
4880 A,200 M,liquid
