Molecular FormulaC8H10O
Molecular Weight122.16
InChIInChI=1S/C8H10O/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKey DLRJIFUOBPOJNS-UHFFFAOYSA-N
SmilesC1(OCC)=CC=CC=C1
Mass
MS-NW-0956 phenetole C8H10O (Mass of molecular ion: 122)
Source Temperature: 280 °C Sample Temperature: 150 °C Reservoir, 75 eV
26.0 1.1 27.0 6.2 29.0 5.6 38.0 2.8 39.0 12.6 40.0 3.6 50.0 3.2 51.0 8.3 55.0 2.8 62.0 1.1 63.0 3.3 64.0 1.4 65.0 10.7 66.0 17.4 67.0 1.0 77.0 9.4 78.0 1.4 79.0 1.3 93.0 1.4 94.0 100.0 95.0 6.9 107.0 1.5 122.0 35.0 123.0 3.1
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C8 H10 O | 0.05 ml : 0.5 ml CDCl3 |
phenetole |
Assign. Shift(ppm) |
Hz ppm Int.
657.69 7.344 81 657.13 7.338 89 656.75 7.334 97 654.81 7.312 73 653.06 7.292 38 652.19 7.283 51 651.31 7.273 92 650.44 7.263 166 649.94 7.258 126 649.25 7.250 192 648.50 7.241 205 647.50 7.230 131 646.75 7.222 78 646.25 7.216 76 644.44 7.196 89 641.75 7.166 222 641.00 7.158 232 638.88 7.134 72 625.69 6.987 65 624.75 6.976 92 624.19 6.970 119 623.19 6.959 152 620.94 6.934 116 619.06 6.913 326 618.31 6.904 401 616.19 6.881 266 612.44 6.839 117 611.88 6.833 123 610.56 6.818 220 609.81 6.809 230 609.38 6.805 207 606.50 6.772 38 365.81 4.085 124 358.81 4.007 413 355.69 3.972 32 351.81 3.929 440 344.88 3.851 153 129.50 1.446 498 122.63 1.370 1000 118.69 1.326 48 115.56 1.291 441
in CDCl3
CCl4 solution
liquid film
4880 A,150M,liquid
Phenetole(103-73-1) 1H NMR Atlas of Related Products
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