Piperonylamine(2620-50-0) IR1
Product NamePiperonylamine
CAS2620-50-0
Molecular FormulaC8H9NO2
Molecular Weight151.16
InChIInChI=1S/C8H9NO2/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3H,4-5,9H2
InChIKey ZILSBZLQGRBMOR-UHFFFAOYSA-N
SmilesO1C2=CC=C(CN)C=C2OC1
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MassMS-NW-5670 piperonylamine C8H9NO2 (Mass of molecular ion: 151)
Source Temperature: 270 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 2.8 27.0 1.9 28.0 13.0 29.0 2.7 30.0 21.3 37.0 1.9 38.0 3.7 39.0 10.9 40.0 2.2 41.0 2.1 42.0 1.5 44.0 1.1 45.5 1.2 46.5 3.0 50.0 5.0 51.0 11.1 52.0 2.9 53.0 3.6 54.0 3.1 55.0 1.1 61.0 2.0 62.0 4.9 63.0 10.8 64.0 4.8 65.0 30.0 66.0 9.9 67.0 3.2 73.5 1.0 74.0 1.3 74.5 5.8 75.0 2.0 76.0 3.3 77.0 19.7 78.0 3.3 79.0 3.4 80.0 1.6 90.0 1.6 91.0 1.7 92.0 3.9 93.0 35.6 94.0 4.1 95.0 10.2 104.0 1.5 105.0 6.7 106.0 1.2 118.0 1.0 120.0 3.6 121.0 43.0 122.0 9.0 123.0 7.8 134.0 2.5 135.0 40.6 136.0 4.3 146.0 2.3 147.0 1.6 148.0 4.0 149.0 2.9 150.0 94.0 151.0 100.0 152.0 9.9 165.0 2.0 283.0 1.1
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C8 H9 N O2 0.05 ml : 0.5 ml CDCl3 piperonylamine 
Assign. Shift(ppm)
A 6.785 B 6.73 C 6.72 D 5.883 E 3.724 F 1.44 J(A,B)=0.7HZ, J(A,C)=1.5HZ, J(A,E)=J(C,E)=0.6HZ, J(B,C)=7.9HZ 90MHZ : HSP-03-789
Hz ppm Int.2712.40 6.787 168 2711.67 6.786 209 2710.94 6.784 216 2710.33 6.782 215 2697.27 6.750 60 2696.53 6.748 77 2689.33 6.730 389 2688.60 6.728 379 2687.38 6.725 270 2686.89 6.724 200 2686.52 6.723 188 2685.91 6.721 247 2685.42 6.720 171 2679.57 6.705 40 2679.08 6.704 32 2678.10 6.702 43 2677.61 6.700 30 2351.07 5.883 1000 1488.77 3.726 422 1488.16 3.724 656 1487.67 3.723 590 577.03 1.444 96
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1H NMR 89.56 MHz C8 H9 N O2 0.04 ml : 0.5 ml CDCl3 piperonylamine Assign. Shift(ppm)
A 6.80 B 6.75 C 6.74 D 5.909 E 3.749 F 1.43
Hz ppm Int.610.75 6.820 22 610.25 6.814 50 609.19 6.803 120 608.75 6.798 110 608.19 6.791 115 607.69 6.786 58 604.25 6.747 376 603.25 6.736 293 529.31 5.911 1000 335.81 3.750 267 127.69 1.426 237
in CDCl3
liquid film
