Veratrylamine(5763-61-1) 13C NMR
Product NameVeratrylamine
CAS5763-61-1
Molecular FormulaC9H13NO2
Molecular Weight167.21
InChIInChI=1S/C9H13NO2/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5H,6,10H2,1-2H3
InChIKey DIVNUTGTTIRPQA-UHFFFAOYSA-N
SmilesC1(CN)=CC=C(OC)C(OC)=C1
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MassMS-NW-5673 3,4-dimethoxybenzylamine C9H13NO2 (Mass of molecular ion: 167)
Source Temperature: 270 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 4.4 18.0 2.6 26.0 1.0 27.0 2.3 28.0 10.1 29.0 1.7 30.0 18.5 31.0 1.0 38.0 1.9 39.0 7.2 40.0 1.7 41.0 3.3 42.0 1.4 43.0 1.0 45.0 1.0 50.0 4.4 51.0 9.3 52.0 5.2 53.0 4.9 54.0 4.0 55.0 1.9 60.0 1.1 62.0 2.1 63.0 4.8 64.0 3.0 65.0 11.7 66.0 4.6 67.0 2.7 74.0 1.1 75.0 1.3 76.0 2.2 77.0 10.9 78.0 4.9 79.0 6.9 80.0 9.8 81.0 4.4 82.0 1.6 89.0 3.2 90.0 3.8 91.0 4.6 92.0 12.2 93.0 8.2 94.0 4.0 95.0 5.6 96.0 1.1 97.0 2.5 104.0 2.9 105.0 6.8 106.0 7.2 107.0 12.5 108.0 8.2 109.0 10.6 110.0 2.8 118.0 3.0 119.0 3.6 120.0 5.8 121.0 9.5 122.0 7.9 123.0 5.1 124.0 21.6 125.0 2.8 133.0 2.2 134.0 6.4 135.0 4.8 136.0 100.0 137.0 12.0 138.0 3.9 139.0 12.6 140.0 1.3 148.0 2.3 149.0 1.1 150.0 10.4 151.0 43.2 152.0 16.3 153.0 1.9 163.0 4.3 164.0 1.9 165.0 1.5 166.0 55.9 167.0 73.9 168.0 7.8 207.0 1.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H13 N O2 0.04 ml : 0.5 ml CDCl3 3,4-dimethoxybenzylamine 
Assign. Shift(ppm)
A 6.87 B 6.84 C 6.83 D *1 3.886 E *1 3.862 F 3.810 G 1.46
Hz ppm Int.614.94 6.867 97 614.63 6.863 97 612.38 6.838 333 611.50 6.828 176 348.13 3.888 788 345.94 3.863 1000 341.25 3.811 333 130.63 1.459 308
in CDCl3
liquid film
