(3-Methoxyphenyl)acetonitrile(19924-43-7) MS
Product Name(3-Methoxyphenyl)acetonitrile
CAS19924-43-7
Molecular FormulaC9H9NO
Molecular Weight147.17
InChIInChI=1S/C9H9NO/c1-11-9-4-2-3-8(7-9)5-6-10/h2-4,7H,5H2,1H3
InChIKey LXKNAUOWEJWGTE-UHFFFAOYSA-N
SmilesC1(CC#N)=CC=CC(OC)=C1
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MassMS-IW-1303 (m-methoxyphenyl)acetonitrile C9H9NO (Mass of molecular ion: 147)
Source Temperature: 240 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 1.2 28.0 1.0 38.0 2.2 39.0 4.8 50.0 4.4 51.0 8.0 52.0 2.1 62.0 2.2 63.0 6.8 64.0 3.9 65.0 1.9 74.0 1.2 75.0 2.0 76.0 4.6 77.0 28.4 78.0 6.5 79.0 3.2 88.0 1.1 89.0 8.2 90.0 13.0 91.0 9.6 92.0 3.7 102.0 2.3 103.0 1.9 104.0 12.4 105.0 2.3 107.0 14.0 108.0 1.1 116.0 17.5 117.0 18.8 118.0 4.1 119.0 3.4 120.0 3.6 121.0 2.4 132.0 19.0 133.0 1.8 146.0 13.6 147.0 100.0 148.0 10.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H9 N O 0.05 ml : 0.5 ml CDCl3 (m-methoxyphenyl)acetonitrile 
Assign. Shift(ppm)
A 7.248 B *1 6.86 C *1 6.83 D 6.82 E 3.763 F 3.654
Hz ppm Int.2905.52 7.271 98 2902.83 7.264 34 2899.29 7.255 58 2897.83 7.251 112 2896.12 7.247 153 2891.11 7.235 60 2889.04 7.229 109 2748.41 6.878 92 2747.44 6.875 130 2746.70 6.873 133 2745.85 6.871 108 2740.84 6.859 81 2739.75 6.856 113 2739.26 6.855 119 2738.16 6.852 100 2737.55 6.850 62 2735.84 6.846 72 2733.76 6.841 127 2733.28 6.840 125 2729.61 6.831 119 2727.05 6.824 276 2726.07 6.822 257 1504.15 3.764 1000 1460.82 3.656 529
in CDCl3
liquid film
