Molecular FormulaC7H8O2
Molecular Weight124.14
InChIInChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3
InChIKey LHGVFZTZFXWLCP-UHFFFAOYSA-N
SmilesC1(O)=CC=CC=C1OC
Mass
MS-NW-0861 guaiacol C7H8O2 (Mass of molecular ion: 124)
Source Temperature: 280 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.7 26.0 3.2 27.0 10.2 28.0 2.4 29.0 1.8 37.0 1.8 38.0 3.6 39.0 9.3 41.0 1.6 50.0 5.4 51.0 8.4 52.0 9.3 53.0 13.5 54.0 1.2 55.0 3.1 61.0 1.0 62.0 2.3 63.0 5.4 64.0 2.3 65.0 6.1 77.0 3.2 79.0 1.2 80.0 2.1 81.0 60.8 82.0 3.3 95.0 2.8 109.0 100.0 110.0 6.9 123.0 1.3 124.0 87.1 125.0 6.9 138.0 1.0
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C7 H8 O2 | 0.05 ml : 0.5 ml CDCl3 |
guaiacol |
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Assign. Shift(ppm) |
Hz ppm Int.
2772.22 6.937 88 2771.48 6.935 85 2769.53 6.930 137 2765.99 6.922 96 2763.55 6.915 161 2762.45 6.913 139 2744.14 6.867 48 2740.72 6.858 68 2738.40 6.852 102 2734.86 6.844 208 2733.28 6.840 44 2732.30 6.837 73 2730.83 6.834 59 2727.54 6.825 346 2725.46 6.820 399 2724.49 6.818 263 2721.56 6.810 215 2719.85 6.806 115 2717.65 6.801 45 2330.69 5.832 470 1516.36 3.795 1000
in CDCl3
CCl4 solution
liquid film
4880 A,100M,liquid
Guaiacol(90-05-1) 13C NMR Atlas of Related Products
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