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MassMS-NW-3999 cyclohexanethiol C6H12S (Mass of molecular ion: 116)
Source Temperature: 300 °C Sample Temperature: 180 °C Reservoir, 75 eV
26.0 1.4 27.0 13.5 28.0 3.7 29.0 9.2 32.0 1.0 38.0 1.2 39.0 17.8 40.0 2.1 41.0 54.3 42.0 3.5 43.0 4.8 45.0 10.0 46.0 1.4 47.0 6.7 50.0 1.7 51.0 2.8 52.0 1.2 53.0 8.5 54.0 29.2 55.0 100.0 56.0 5.6 58.0 2.6 59.0 4.2 60.0 9.5 61.0 3.2 65.0 1.6 66.0 1.3 67.0 66.6 68.0 4.6 69.0 2.2 71.0 1.6 73.0 8.5 74.0 1.8 77.0 1.8 79.0 3.5 81.0 10.3 82.0 57.1 83.0 76.4 84.0 5.5 87.0 1.6 116.0 42.0 117.0 3.5 118.0 2.2 148.0 3.1 230.0 1.3
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C6 H12 S 0.04 ml : 0.5 ml CDCl3 cyclohexanethiol 
Assign. Shift(ppm)
A 2.793 B 2.01 C 1.75 D 1.61 E 1.51 F 1.34 G 1.31 J 1.22 ASSIGNED BY COSY.
Hz ppm Int.1129.15 2.826 47 1125.49 2.817 60 1122.68 2.810 80 1118.90 2.800 110 1115.23 2.791 92 1112.18 2.783 97 1108.40 2.774 89 1104.74 2.765 46 1101.81 2.757 39 810.18 2.028 126 808.84 2.024 141 807.62 2.021 158 806.52 2.019 176 805.42 2.016 202 804.69 2.014 206 799.32 2.001 175 798.22 1.998 153 794.19 1.988 295 719.48 1.801 32 718.38 1.798 36 717.41 1.796 37 716.67 1.794 36 715.58 1.791 40 714.11 1.787 41 713.13 1.785 41 712.89 1.784 41 707.28 1.770 141 704.22 1.763 232 703.74 1.761 231 703.00 1.760 216 701.78 1.756 198 699.83 1.752 233 695.56 1.741 176 694.46 1.738 184 691.77 1.731 181 690.80 1.729 180 689.33 1.725 150 687.99 1.722 137 684.08 1.712 48 653.56 1.636 74 652.34 1.633 97 650.88 1.629 102 649.54 1.626 109 648.68 1.624 124 647.34 1.620 105 645.63 1.616 89 644.29 1.613 87 643.31 1.610 93 641.85 1.607 85 640.14 1.602 90 639.16 1.600 95 637.82 1.596 117 636.47 1.593 110 633.42 1.585 81 632.20 1.582 63 605.10 1.515 1000 602.05 1.507 32 598.51 1.498 953 558.47 1.398 88 556.15 1.392 73 547.12 1.369 213 544.56 1.363 201 535.64 1.341 440 527.71 1.321 251 526.86 1.319 244 524.90 1.314 442 518.55 1.298 70 515.75 1.291 165 513.06 1.284 232 510.38 1.278 155 509.64 1.276 132 506.59 1.268 42 503.78 1.261 80 500.98 1.254 139 498.78 1.249 117 498.05 1.247 121 496.46 1.243 78 495.12 1.239 65 493.29 1.235 58 488.40 1.223 91 485.47 1.215 93 482.79 1.209 70 476.93 1.194 69 473.88 1.186 69 470.58 1.178 38
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1H NMR 89.56 MHz C6 H12 S 0.04 ml : 0.5 ml CDCl3 cyclohexanethiol Assign. Shift(ppm)
A 2.78 B 1.98 C 1.70 D 1.70 to 1.03 E 1.493
Hz ppm Int.257.75 2.878 37 257.63 2.877 37 257.06 2.871 37 256.50 2.865 37 255.00 2.848 41 254.00 2.837 51 250.94 2.802 53 249.56 2.787 52 248.81 2.779 50 247.13 2.760 54 244.94 2.735 47 244.38 2.729 47 243.13 2.715 49 241.81 2.700 36 241.31 2.695 35 240.31 2.684 36 239.50 2.675 31 187.88 2.098 61 186.75 2.086 51 183.56 2.050 96 182.13 2.034 95 177.63 1.984 157 176.88 1.975 165 174.69 1.951 125 173.19 1.934 107 172.06 1.922 99 170.94 1.909 96 165.81 1.852 72 164.75 1.840 75 162.94 1.820 91 160.25 1.790 136 159.38 1.780 144 159.25 1.779 144 158.31 1.768 149 155.81 1.740 164 153.94 1.719 133 152.50 1.703 121 151.13 1.688 116 150.69 1.683 115 150.00 1.675 117 149.88 1.674 117 148.88 1.663 114 148.19 1.655 118 147.38 1.646 117 147.06 1.643 117 146.69 1.638 118 144.50 1.614 144 142.19 1.588 109 140.94 1.574 105 140.06 1.564 102 139.44 1.557 107 138.81 1.550 108 136.94 1.530 1000 135.00 1.508 123 134.25 1.499 114 133.00 1.486 106 132.44 1.479 113 130.44 1.457 907 127.81 1.428 235 124.06 1.386 139 118.06 1.319 365 117.00 1.307 337 112.88 1.261 204 110.50 1.234 256 109.69 1.225 276 105.81 1.182 81 104.56 1.168 63 103.25 1.153 68 100.31 1.121 34 99.94 1.116 32
in CDCl3
liquid film
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