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MS-IW-3646 (2,6,6-trimethyl-1-cyclohexenyl)acetaldehyde C11H18O (Mass of molecular ion: 166)
Source Temperature: 210 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 11.2 28.0 1.4 29.0 11.5 39.0 19.2 40.0 3.2 41.0 44.4 42.0 2.4 43.0 19.9 50.0 1.6 51.0 6.3 52.0 2.9 53.0 16.4 54.0 1.9 55.0 29.8 56.0 2.6 57.0 10.9 58.0 1.0 63.0 2.2 65.0 8.8 66.0 2.7 67.0 31.2 68.0 4.3 69.0 25.6 70.0 2.4 71.0 2.4 77.0 16.9 78.0 3.5 79.0 23.6 80.0 3.6 81.0 78.4 82.0 10.8 83.0 4.5 84.0 1.4 85.0 1.4 91.0 26.6 92.0 4.3 93.0 18.7 94.0 3.6 95.0 61.6 96.0 9.2 97.0 2.9 98.0 1.0 103.0 1.7 105.0 16.1 106.0 2.8 107.0 94.0 108.0 12.3 109.0 23.8 110.0 6.2 111.0 2.4 115.0 1.0 117.0 1.3 119.0 2.5 120.0 1.0 121.0 11.6 122.0 16.4 123.0 58.1 124.0 7.3 125.0 1.2 131.0 1.3 133.0 35.0 134.0 4.2 135.0 2.1 136.0 2.8 137.0 40.2 138.0 5.7 139.0 1.9 148.0 1.0 151.0 100.0 152.0 16.4 153.0 2.1 166.0 33.5 167.0 4.9 177.0 2.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C11 H18 O 0.05 ml : 0.5 ml CDCl3 (2,6,6-trimethyl-1-cyclohexenyl)acetaldehyde Assign. Shift(ppm)
A 9.526 B 3.096 C 2.010 D 1.621 E 1.574 F 1.495 G 0.970
Hz ppm Int.
3807.22 9.527 126 3804.93 9.521 240 3802.49 9.515 136 1238.71 3.100 150 1238.10 3.098 155 1237.49 3.097 157 1237.03 3.096 157 809.48 2.026 59 803.83 2.012 109 803.07 2.010 114 797.73 1.997 66 796.81 1.994 68 661.01 1.654 44 657.81 1.646 38 654.91 1.639 87 651.70 1.631 73 648.96 1.624 108 645.45 1.616 83 642.85 1.609 116 639.19 1.600 40 636.60 1.593 68 629.12 1.575 411 628.51 1.573 368 602.57 1.508 157 600.13 1.502 95 596.31 1.493 89 594.02 1.487 92 590.82 1.479 96 394.74 0.988 37 387.88 0.971 1000
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