4-Hydroxy-3-methoxybenzonitrile(4421-08-3) Raman
Product Name4-Hydroxy-3-methoxybenzonitrile
CAS4421-08-3
Molecular FormulaC8H7NO2
Molecular Weight149.15
InChIInChI=1S/C8H7NO2/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,10H,1H3
InChIKey QJRWLNLUIAJTAD-UHFFFAOYSA-N
SmilesC(#N)C1=CC=C(O)C(OC)=C1
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MassMS-NW-7649 4-hydroxy-3-methoxybenzonitrile C8H7NO2 (Mass of molecular ion: 149)
Source Temperature: 260 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 2.6 18.0 1.0 26.0 2.6 27.0 4.2 28.0 4.2 29.0 2.8 31.0 1.5 37.0 3.4 38.0 3.6 39.0 3.7 49.0 1.2 50.0 6.5 51.0 17.0 52.0 6.9 53.0 4.4 54.0 1.2 55.0 1.5 61.0 1.7 62.0 3.8 63.0 7.3 64.0 4.2 65.0 2.4 66.0 1.1 75.0 2.2 76.0 3.9 77.0 6.4 78.0 4.5 79.0 2.4 88.0 1.3 89.0 1.2 90.0 1.6 92.0 1.4 93.0 1.1 106.0 50.7 107.0 3.9 120.0 1.1 134.0 100.0 135.0 8.6 149.0 91.7 150.0 8.8
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H7 N O2 0.041 g : 0.5 ml CDCl3 4-hydroxy-3-methoxybenzonitrile 
Assign. Shift(ppm)
A 7.226 B 7.093 C 6.964 D 6.38 E 3.927
Hz ppm Int.2893.43 7.240 121 2891.60 7.236 139 2885.13 7.220 135 2883.30 7.215 156 2835.94 7.097 199 2834.11 7.092 211 2786.87 6.974 233 2778.56 6.953 203 2551.76 6.385 260 1569.46 3.928 1000
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
