4-Methoxybenzyl cyanide(104-47-2) Raman
Product Name4-Methoxybenzyl cyanide
CAS104-47-2
Molecular FormulaC9H9NO
Molecular Weight147.17
InChIInChI=1S/C9H9NO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6H2,1H3
InChIKey PACGLQCRGWFBJH-UHFFFAOYSA-N
SmilesC1(CC#N)=CC=C(OC)C=C1
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MassMS-NW-6666 p-methoxyphenylacetonitrile C9H9NO (Mass of molecular ion: 147)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 2.4 26.0 1.4 27.0 3.0 28.0 1.6 29.0 1.1 37.0 1.4 38.0 3.1 39.0 6.5 41.0 1.4 50.0 8.1 51.0 13.6 52.0 4.2 53.0 1.5 61.0 1.3 62.0 3.3 63.0 8.3 64.0 3.8 65.0 2.6 74.0 1.9 75.0 3.0 76.0 6.6 77.0 31.9 78.0 8.7 79.0 2.5 88.0 1.3 89.0 7.1 90.0 6.5 91.0 9.1 92.0 3.4 102.0 3.4 103.0 4.2 104.0 14.9 105.0 2.8 106.0 1.2 107.0 15.8 108.0 1.4 115.0 1.1 116.0 17.5 117.0 8.0 118.0 3.6 119.0 3.5 120.0 5.8 121.0 6.9 132.0 27.0 133.0 2.8 146.0 35.7 147.0 100.0 148.0 10.4 177.0 1.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H9 N O 0.05 ml : 0.5 ml CDCl3 p-methoxyphenylacetonitrile 
Assign. Shift(ppm)
A 7.207 B 6.883 C 3.773 D 3.641
Hz ppm Int.653.13 7.293 24 650.38 7.262 127 649.69 7.255 109 648.13 7.237 53 643.81 7.189 73 641.50 7.163 196 639.31 7.139 35 638.75 7.133 36 622.31 6.949 49 619.56 6.918 256 617.25 6.893 73 612.88 6.844 63 610.75 6.820 137 338.13 3.776 1000 333.19 3.721 25 326.25 3.643 380
in CDCl3
liquid film
4880 A,200 M,liquid
