4-METHOXYCINNAMONITRILE(28446-68-6) MS
Product Name4-METHOXYCINNAMONITRILE
CAS28446-68-6
Molecular FormulaC10H9NO
Molecular Weight159.18
InChIInChI=1S/C10H9NO/c1-12-10-6-4-9(5-7-10)3-2-8-11/h2-7H,1H3
InChIKey CNBCNHHPIBKYBO-UHFFFAOYSA-N
SmilesC(#N)C=CC1=CC=C(OC)C=C1
-
MassMS-IW-3489 4-methoxycinnamonitrile C10H9NO (Mass of molecular ion: 159)
Source Temperature: 210 °C Sample Temperature: 160 °C Reservoir, 75 eV
38.0 1.6 39.0 5.3 50.0 3.5 51.0 3.9 52.0 1.1 61.0 1.2 62.0 3.6 63.0 9.0 64.0 3.4 65.0 2.1 74.0 1.7 75.0 2.8 76.0 2.1 77.0 2.8 78.0 1.1 79.5 1.1 87.0 1.0 88.0 2.4 89.0 22.9 90.0 4.9 101.0 2.4 102.0 2.9 103.0 1.7 114.0 1.2 115.0 1.3 116.0 33.8 117.0 3.8 128.0 3.1 129.0 4.6 130.0 2.7 135.0 1.3 144.0 23.7 145.0 2.6 158.0 1.3 159.0 100.0 160.0 11.6
400 MHz in CDCl3
-
1H NMR 399.65 MHz C10 H9 N O 0.05 ml : 0.5 ml CDCl3 4-methoxycinnamonitrile 
Assign. Shift(ppm)
A 7.766 B 7.352 C 7.268 D 7.009 E 6.91 F 6.87 G 5.675 J 5.264 K 3.806 L 3.803 CIS-TRANS MIXTURE. J(D,J)=12.1 HZ J(C,G)=16.6 HZ
Hz ppm Int.3108.15 7.778 232 3106.45 7.773 85 3101.68 7.761 81 3099.49 7.756 251 3096.56 7.749 31 2943.12 7.365 176 2942.75 7.364 176 2941.04 7.360 65 2936.28 7.348 62 2934.20 7.342 205 2913.33 7.290 113 2896.73 7.249 118 2807.37 7.025 147 2795.29 6.995 152 2768.92 6.929 37 2765.99 6.922 280 2763.79 6.916 96 2759.16 6.904 116 2756.96 6.899 319 2754.03 6.892 102 2749.39 6.880 65 2747.31 6.875 199 2276.25 5.696 206 2259.64 5.655 196 2109.99 5.280 238 2097.90 5.250 232 1521.12 3.807 1000 1519.90 3.804 871
liquid film
