4-Ethylaniline(589-16-2) MS
Product Name4-Ethylaniline
CAS589-16-2
Molecular FormulaC8H11N
Molecular Weight121.18
InChIInChI=1S/C8H11N/c1-2-7-3-5-8(9)6-4-7/h3-6H,2,9H2,1H3
InChIKey HRXZRAXKKNUKRF-UHFFFAOYSA-N
SmilesC1(N)=CC=C(CC)C=C1
-
MassMS-NW-0449 p-ethylaniline C8H11N (Mass of molecular ion: 121)
Source Temperature: 260 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 1.2 28.0 1.6 39.0 3.2 41.0 1.4 50.0 1.0 51.0 2.3 52.0 2.1 53.0 3.0 54.0 1.1 58.5 1.0 63.0 1.6 65.0 3.1 66.0 1.4 77.0 7.6 78.0 2.6 79.0 3.0 80.0 1.3 91.0 2.7 92.0 1.1 93.0 2.5 103.0 1.2 104.0 1.5 106.0 100.0 107.0 8.3 118.0 1.9 119.0 2.0 120.0 5.6 121.0 37.8 122.0 3.3
90 MHz in CDCl3
-
1H NMR 89.56 MHz C8 H11 N 0.05 ml : 0.5 ml CDCl3 p-ethylaniline 
Assign. Shift(ppm)
A 6.96 B 6.579 C 3.40 D 2.514 E 1.173
Hz ppm Int.630.63 7.042 55 628.19 7.015 286 626.00 6.990 115 621.81 6.943 160 619.63 6.919 419 617.75 6.898 74 617.25 6.893 76 594.81 6.642 96 592.44 6.616 523 590.31 6.592 158 588.63 6.573 45 587.94 6.565 45 586.06 6.544 140 584.06 6.522 310 581.44 6.493 46 304.75 3.403 119 237.25 2.650 83 229.63 2.564 263 226.31 2.527 37 226.00 2.524 37 222.06 2.480 297 218.06 2.435 31 217.06 2.424 32 214.81 2.399 119 112.13 1.253 486 110.38 1.233 58 109.94 1.228 56 104.75 1.170 1000 102.75 1.148 87 100.75 1.125 50 100.19 1.119 49 97.00 1.084 363
in CDCl3
CCl4 solution
liquid film
