2-Isopropoxyphenol(4812-20-8) MS
Product Name2-Isopropoxyphenol
CAS4812-20-8
Molecular FormulaC9H12O2
Molecular Weight152.19
InChIInChI=1S/C9H12O2/c1-7(2)11-9-6-4-3-5-8(9)10/h3-7,10H,1-2H3
InChIKey ZNCUUYCDKVNVJH-UHFFFAOYSA-N
SmilesC1(O)=CC=CC=C1OC(C)C
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MassMS-IW-1267 o-isopropoxyphenol C9H12O2 (Mass of molecular ion: 152)
Source Temperature: 230 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 3.3 39.0 2.9 41.0 3.7 43.0 5.2 51.0 1.0 52.0 1.3 53.0 2.1 54.0 1.0 63.0 1.9 64.0 5.3 65.0 1.5 81.0 4.0 82.0 2.8 92.0 4.0 109.0 2.8 110.0 100.0 111.0 7.6 152.0 18.3 153.0 1.8
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H12 O2 0.05 ml : 0.5 ml CDCl3 o-isopropoxyphenol 
Assign. Shift(ppm)
A 6.929 B 6.84 C 6.82 D 6.80 E 5.83 F 4.528 G 1.321
Hz ppm Int.2775.02 6.944 124 2773.07 6.939 87 2770.87 6.934 38 2767.46 6.925 156 2767.09 6.924 152 2765.26 6.920 123 2764.28 6.917 79 2738.65 6.853 76 2737.06 6.849 56 2735.11 6.844 113 2732.30 6.837 34 2730.10 6.832 255 2728.88 6.829 243 2727.91 6.826 147 2723.51 6.815 161 2722.05 6.812 210 2719.97 6.806 199 2716.80 6.798 60 2715.70 6.796 49 2712.89 6.789 103 2707.15 6.774 43 2705.44 6.770 36 2330.44 5.832 462 1822.27 4.560 43 1816.16 4.545 104 1810.06 4.530 137 1803.96 4.514 106 1797.97 4.499 45 531.13 1.329 1000 524.90 1.314 965
in CDCl3
liquid film
