4-HYDROXY-3-METHOXYPHENYLACETONITRILE(4468-59-1) Raman
Product Name4-HYDROXY-3-METHOXYPHENYLACETONITRILE
CAS4468-59-1
Molecular FormulaC9H9NO2
Molecular Weight163.17
InChIInChI=1S/C9H9NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4H2,1H3
InChIKey SDVYWMWQCJEYTC-UHFFFAOYSA-N
SmilesC1(CC#N)=CC=C(O)C(OC)=C1
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MassMS-NW-9921 4-hydroxy-3-methoxyphenylacetonitrile C9H9NO2 (Mass of molecular ion: 163)
Source Temperature: 260 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 2.4 28.0 1.5 29.0 1.2 31.0 1.0 37.0 1.2 38.0 2.7 39.0 9.1 40.0 1.2 41.0 1.5 43.0 1.3 50.0 4.6 51.0 9.7 52.0 3.7 53.0 4.0 55.0 4.6 62.0 2.0 63.0 5.9 64.0 6.9 65.0 33.0 66.0 4.0 75.0 2.5 76.0 4.4 77.0 9.8 78.0 2.4 79.0 2.8 80.0 1.1 90.0 1.3 91.0 3.5 92.0 23.2 93.0 3.8 94.0 3.9 95.0 1.0 102.0 2.0 103.0 18.5 104.0 2.4 105.0 2.4 106.0 1.2 107.0 3.1 108.0 1.4 111.0 1.2 119.0 3.9 120.0 23.9 121.0 3.1 122.0 1.8 123.0 1.2 130.0 1.1 131.0 32.8 132.0 9.9 133.0 1.5 135.0 1.0 136.0 1.3 137.0 2.8 146.0 1.7 147.0 2.8 148.0 97.7 149.0 9.0 162.0 4.5 163.0 100.0 164.0 10.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H9 N O2 0.035 g : 0.5 ml CDCl3 4-hydroxy-3-methoxyphenylacetonitrile 
Assign. Shift(ppm)
A 6.887 B 6.81 C 6.79 D 5.75 E 3.889 F 3.672
Hz ppm Int.2757.45 6.900 122 2749.39 6.880 175 2721.92 6.811 85 2719.97 6.806 142 2717.29 6.800 103 2715.21 6.794 51 2709.35 6.780 58 2708.62 6.778 40 2707.28 6.775 43 2297.73 5.750 273 1554.32 3.890 1000 1467.90 3.673 436 1467.29 3.672 290
in CDCl3
KBr disc
nujol mull
