2-Methoxyphenylacetonitrile(7035-03-2) IR2
Product Name2-Methoxyphenylacetonitrile
CAS7035-03-2
Molecular FormulaC9H9NO
Molecular Weight147.17
InChIInChI=1S/C9H9NO/c1-11-9-5-3-2-4-8(9)6-7-10/h2-5H,6H2,1H3
InChIKey DWJKILXTMUGXOU-UHFFFAOYSA-N
SmilesC1(CC#N)=CC=CC=C1OC
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MassMS-NW-7690 o-methoxyphenylacetonitrile C9H9NO (Mass of molecular ion: 147)
Source Temperature: 260 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 2.9 26.0 1.6 27.0 4.3 28.0 2.5 29.0 1.0 37.0 2.0 38.0 4.7 39.0 12.0 40.0 1.1 41.0 3.4 43.0 1.0 50.0 9.9 51.0 19.8 52.0 5.8 53.0 1.4 61.0 1.6 62.0 4.1 63.0 10.8 64.0 4.5 65.0 4.5 74.0 2.2 75.0 3.8 76.0 8.7 77.0 40.5 78.0 12.2 79.0 3.8 88.0 2.4 89.0 11.7 90.0 10.3 91.0 19.6 92.0 5.9 102.0 3.6 103.0 3.7 104.0 23.4 105.0 4.5 106.0 2.2 107.0 55.1 108.0 4.7 114.0 1.5 115.0 3.0 116.0 18.5 117.0 5.6 118.0 9.6 119.0 10.4 120.0 17.1 121.0 3.4 132.0 54.4 133.0 5.3 146.0 11.9 147.0 100.0 148.0 10.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H9 N O 0.035 g : 0.5 ml CDCl3 o-methoxyphenylacetonitrile 
Assign. Shift(ppm)
A 7.35 B 7.30 C 6.95 D 6.89 E 3.851 F 3.668
Hz ppm Int.662.88 7.402 73 662.25 7.395 76 660.81 7.379 45 655.25 7.317 139 653.69 7.299 81 648.25 7.239 77 646.38 7.218 42 630.44 7.040 54 629.19 7.026 73 623.69 6.964 47 622.19 6.948 90 621.38 6.939 83 620.44 6.928 109 615.63 6.874 38 614.38 6.860 41 612.44 6.839 65 610.75 6.820 39 345.00 3.853 1000 328.56 3.669 369
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
