N-Ethyl-3,4-(methylenedioxy)aniline(32953-14-3) 13C NMR
Product NameN-Ethyl-3,4-(methylenedioxy)aniline
CAS32953-14-3
Molecular FormulaC9H11NO2
Molecular Weight165.19
InChIInChI=1S/C9H11NO2/c1-2-10-7-3-4-8-9(5-7)12-6-11-8/h3-5,10H,2,6H2,1H3
InChIKey FPKGTVXPIULTIP-UHFFFAOYSA-N
SmilesO1C2=CC=C(NCC)C=C2OC1
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MassMS-NW-7516 N-ethyl-3,4-methylenedioxyaniline C9H11NO2 (Mass of molecular ion: 165)
Source Temperature: 250 °C Sample Temperature: 170 °C Reservoir, 75 eV
26.0 1.1 27.0 4.4 28.0 5.3 29.0 2.8 38.0 1.5 39.0 3.9 40.0 1.0 41.0 1.3 42.0 1.3 50.0 2.6 51.0 8.1 52.0 7.2 53.0 3.5 54.0 1.5 62.0 2.4 63.0 4.7 64.0 1.9 65.0 8.3 66.0 1.3 67.0 1.1 68.0 1.7 73.5 1.1 74.5 10.7 75.0 4.7 77.0 2.8 78.0 13.2 79.0 4.9 80.0 4.6 81.5 2.1 82.5 1.1 91.0 1.5 92.0 6.1 93.0 4.8 94.0 1.1 104.0 1.1 106.0 6.1 107.0 2.4 108.0 1.3 120.0 7.3 121.0 4.1 122.0 6.3 134.0 1.8 136.0 5.4 137.0 1.3 148.0 2.7 149.0 2.1 150.0 100.0 151.0 10.5 152.0 1.1 163.0 1.4 164.0 5.7 165.0 66.3 166.0 7.0 178.0 2.5 193.0 1.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H11 N O2 0.05 ml : 0.5 ml CDCl3 N-ethyl-3,4-methylenedioxyaniline 
Assign. Shift(ppm)
A 6.614 B 6.210 C 6.008 D 5.792 E 3.15 F 3.060 G 1.190
Hz ppm Int.597.31 6.670 140 596.94 6.666 129 589.06 6.578 187 588.69 6.574 171 557.13 6.221 132 554.94 6.197 165 542.75 6.061 123 540.44 6.035 93 534.50 5.969 90 532.19 5.943 73 518.75 5.793 1000 284.19 3.174 110 277.06 3.094 207 269.94 3.015 209 262.94 2.936 76 113.38 1.266 239 106.38 1.188 491 99.19 1.108 199 97.31 1.087 33
in CDCl3
liquid film
