Ethylcyclohexane(1678-91-7) 1H NMR
Product NameEthylcyclohexane
CAS1678-91-7
Molecular FormulaC8H16
Molecular Weight112.21
InChIInChI=1S/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H3
InChIKey IIEWJVIFRVWJOD-UHFFFAOYSA-N
SmilesC1(CC)CCCCC1
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MassMS-NW-1028 ethylcyclohexane C8H16 (Mass of molecular ion: 112)
Source Temperature: 240 °C Sample Temperature: 130 °C Reservoir, 75 eV
18.0 1.6 27.0 8.4 29.0 7.7 39.0 9.2 40.0 1.5 41.0 31.4 42.0 8.2 43.0 6.8 51.0 1.1 53.0 3.2 54.0 4.1 55.0 68.8 56.0 10.2 57.0 1.7 67.0 9.8 68.0 2.2 69.0 8.1 70.0 3.2 81.0 1.8 82.0 43.5 83.0 100.0 84.0 7.7 112.0 20.5 113.0 1.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H16 18.8 mg : 0.5 ml CDCl3 ethylcyclohexane 
Assign. Shift(ppm)
A 1.74 to 1.600 B 1.21 C 1.19 D 1.13 E 0.860 F 0.85
Hz ppm Int.691.16 1.730 69 689.45 1.726 93 687.87 1.722 113 686.16 1.717 115 684.20 1.712 128 683.59 1.711 126 680.54 1.703 140 679.32 1.700 141 677.49 1.696 186 676.27 1.693 185 674.56 1.688 178 673.22 1.685 172 671.63 1.681 135 670.78 1.679 137 668.58 1.673 132 667.36 1.670 131 665.16 1.665 104 664.06 1.662 107 662.72 1.659 94 661.74 1.656 90 660.03 1.652 77 658.69 1.649 64 657.10 1.645 53 655.52 1.641 47 654.54 1.638 45 652.83 1.634 47 651.61 1.631 52 649.78 1.626 57 648.32 1.623 57 646.73 1.619 42 645.26 1.615 40 494.02 1.237 56 492.68 1.233 84 491.33 1.230 86 488.16 1.222 56 487.43 1.220 60 485.47 1.215 160 485.11 1.214 161 481.20 1.205 102 478.03 1.197 387 470.95 1.179 266 470.21 1.177 262 468.02 1.172 131 466.80 1.169 172 464.11 1.162 120 463.01 1.159 111 460.82 1.154 71 459.47 1.150 62 458.13 1.147 95 457.03 1.144 64 455.44 1.140 70 451.90 1.131 52 448.73 1.123 77 445.80 1.116 87 442.87 1.109 70 441.41 1.105 58 437.62 1.096 48 435.55 1.090 40 433.72 1.086 48 431.52 1.080 37 430.54 1.078 44 358.52 0.898 48 355.35 0.890 54 353.39 0.885 33 350.95 0.879 532 343.75 0.861 1000 338.62 0.848 65 336.30 0.842 455 333.01 0.834 107 323.97 0.811 32 323.36 0.810 32 323.00 0.809 32 322.63 0.808 32 319.09 0.799 30
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
