1,8-Cineole(470-82-6) MS
Product Name1,8-Cineole
CAS470-82-6
Molecular FormulaC10H18O
Molecular Weight154.25
InChIInChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3
InChIKey WEEGYLXZBRQIMU-UHFFFAOYSA-N
SmilesC12(C)CCC(CC1)C(C)(C)O2
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MassMS-NW-0873 1,8-cineole C10H18O (Mass of molecular ion: 154)
Source Temperature: 280 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 2.7 27.0 13.1 28.0 2.3 29.0 10.9 31.0 1.3 39.0 19.1 40.0 3.9 41.0 33.6 42.0 3.0 43.0 100.0 44.0 2.2 45.0 2.3 50.0 1.2 51.0 3.9 52.0 1.8 53.0 12.3 54.0 9.3 55.0 32.9 56.0 8.1 57.0 2.0 58.0 14.8 59.0 15.5 63.0 1.1 65.0 4.2 66.0 2.0 67.0 23.9 68.0 37.7 69.0 40.1 70.0 2.7 71.0 46.8 72.0 2.6 77.0 11.6 78.0 2.1 79.0 12.6 80.0 5.1 81.0 55.5 82.0 7.6 83.0 18.4 84.0 38.2 85.0 3.0 91.0 10.9 92.0 10.6 93.0 55.5 94.0 7.4 95.0 14.0 96.0 23.4 97.0 5.2 98.0 1.3 105.0 3.2 106.0 1.1 107.0 5.8 108.0 35.7 109.0 3.9 111.0 28.8 112.0 2.2 119.0 5.2 121.0 9.5 122.0 1.0 125.0 3.8 126.0 6.5 134.0 1.2 136.0 7.6 139.0 18.8 140.0 1.9 154.0 23.9 155.0 2.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H18 O 0.05 ml : 0.5 ml CDCl3 1,8-cineole 
Assign. Shift(ppm)
A 2.022 B 1.661 C 1.50 E 1.41 F 1.239 G 1.050 ASSIGNED BY C-H COSY.
Hz ppm Int.820.92 2.055 33 817.26 2.045 32 811.40 2.031 36 809.20 2.025 59 808.11 2.023 62 805.66 2.016 54 801.39 2.006 30 797.97 1.997 35 796.88 1.994 35 673.95 1.687 41 672.97 1.684 41 666.50 1.668 67 665.04 1.665 53 662.84 1.659 47 656.62 1.643 36 655.40 1.640 56 613.28 1.535 37 601.93 1.507 196 594.12 1.487 148 593.14 1.485 186 565.43 1.415 33 564.33 1.413 42 563.11 1.410 47 561.77 1.406 56 560.67 1.403 48 559.20 1.400 39 558.11 1.397 34 495.36 1.240 1000 419.92 1.051 694
in CDCl3
liquid film
4880 A,200 M,liquid
