2-Ethylaniline(578-54-1) IR2
Product Name2-Ethylaniline
CAS578-54-1
Molecular FormulaC8H11N
Molecular Weight121.18
InChIInChI=1S/C8H11N/c1-2-7-5-3-4-6-8(7)9/h3-6H,2,9H2,1H3
InChIKey MLPVBIWIRCKMJV-UHFFFAOYSA-N
SmilesC1(N)=CC=CC=C1CC
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MassMS-NW-0458 o-ethylaniline C8H11N (Mass of molecular ion: 121)
Source Temperature: 280 °C Sample Temperature: 170 °C Reservoir, 75 eV
27.0 1.8 28.0 2.4 30.0 1.8 39.0 4.2 41.0 1.4 42.0 1.1 50.0 1.2 51.0 3.3 52.0 2.4 53.0 3.6 54.0 1.0 58.5 1.0 63.0 1.6 65.0 3.4 66.0 1.5 77.0 10.6 78.0 3.5 79.0 6.5 80.0 1.4 89.0 1.0 91.0 2.8 92.0 1.1 93.0 2.1 103.0 2.6 104.0 1.8 106.0 100.0 107.0 8.2 118.0 1.9 119.0 1.5 120.0 4.7 121.0 45.5 122.0 4.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H11 N 10.5 mol% in CDCl3 o-ethylaniline 
Assign. Shift(ppm)
A 3.47 B 1.216 C 2.46 D 6.61 E 6.71 F 7.00 G 7.04
Hz ppm Int.636.56 7.108 53 634.75 7.088 140 634.31 7.083 137 632.94 7.068 89 627.69 7.009 313 627.13 7.003 298 626.63 6.997 228 625.88 6.989 154 621.00 6.934 173 619.13 6.914 92 609.13 6.802 125 607.63 6.785 172 602.63 6.729 86 600.56 6.706 168 596.00 6.655 218 594.69 6.641 170 592.94 6.621 97 588.44 6.571 140 586.63 6.551 88 310.50 3.467 722 232.19 2.593 79 224.56 2.508 256 217.13 2.425 281 209.75 2.343 110 115.81 1.294 465 113.94 1.273 42 108.50 1.212 1000 108.06 1.207 655 106.25 1.187 63 100.81 1.126 338
in CDCl3
CCl4 solution
liquid film
