2-Propoxyphenol(6280-96-2) MS
Product Name2-Propoxyphenol
CAS6280-96-2
Molecular FormulaC9H12O2
Molecular Weight152.19
InChIInChI=1S/C9H12O2/c1-2-7-11-9-6-4-3-5-8(9)10/h3-6,10H,2,7H2,1H3
InChIKey JFSVGKRARHIICJ-UHFFFAOYSA-N
SmilesC1(O)=CC=CC=C1OCCC
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MassMS-IW-3578 o-propoxyphenol C9H12O2 (Mass of molecular ion: 152)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 5.2 39.0 3.9 41.0 5.4 43.0 7.1 51.0 1.5 52.0 2.0 53.0 2.7 63.0 2.4 64.0 5.5 65.0 2.6 81.0 4.9 82.0 2.2 92.0 3.7 109.0 3.4 110.0 100.0 111.0 7.2 152.0 24.3 153.0 2.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H12 O2 0.05 ml : 0.5 ml CDCl3 o-propoxyphenol 
Assign. Shift(ppm)
A *1 6.924 B *2 6.83 C *2 6.81 D *1 6.80 E 5.81 F 3.930 G 1.782 J 1.002
Hz ppm Int.2772.95 6.939 125 2771.61 6.936 212 2770.63 6.933 132 2765.99 6.922 165 2764.65 6.918 226 2764.16 6.917 199 2763.18 6.915 194 2738.28 6.852 78 2734.25 6.842 114 2733.15 6.839 113 2731.32 6.835 44 2729.13 6.829 213 2727.54 6.825 60 2725.46 6.820 81 2723.75 6.816 76 2721.80 6.811 260 2719.85 6.806 579 2718.75 6.803 507 2715.94 6.796 189 2714.60 6.793 216 2712.65 6.788 117 2321.04 5.808 703 1577.39 3.947 399 1570.92 3.931 711 1564.21 3.914 399 730.22 1.828 53 723.51 1.811 131 722.78 1.809 174 716.19 1.793 337 715.33 1.790 204 709.47 1.776 229 708.74 1.774 336 702.03 1.757 183 701.29 1.755 137 694.70 1.739 60 407.71 1.021 619 400.39 1.002 1000 392.82 0.983 541
in CDCl3
liquid film
