3-ETHYLANILINE(587-02-0) MS
Product Name3-ETHYLANILINE
CAS587-02-0
Molecular FormulaC8H11N
Molecular Weight121.18
InChIInChI=1S/C8H11N/c1-2-7-4-3-5-8(9)6-7/h3-6H,2,9H2,1H3
InChIKey AMKPQMFZCBTTAT-UHFFFAOYSA-N
SmilesC1(N)=CC=CC(CC)=C1
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MassMS-NW-0445 m-ethylaniline C8H11N (Mass of molecular ion: 121)
Source Temperature: 280 °C Sample Temperature: 170 °C Reservoir, 75 eV
18.0 1.2 27.0 2.8 28.0 4.2 30.0 1.9 38.0 1.6 39.0 7.5 40.0 1.1 41.0 2.7 42.0 2.1 50.0 1.6 51.0 4.4 52.0 3.4 53.0 4.1 54.0 1.9 58.5 2.5 59.5 1.7 62.0 1.1 63.0 2.6 64.0 1.3 65.0 6.3 66.0 3.2 67.0 1.2 77.0 15.0 78.0 5.0 79.0 9.5 80.0 4.6 89.0 1.5 91.0 5.1 92.0 2.4 93.0 11.8 94.0 4.4 103.0 3.2 104.0 2.8 105.0 1.3 106.0 100.0 107.0 7.8 117.0 1.0 118.0 2.3 119.0 2.5 120.0 20.7 121.0 99.0 122.0 9.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H11 N 0.04 ml : 0.5 ml CDCl3 m-ethylaniline 
Assign. Shift(ppm)
A 7.04 B 6.59 C 6.52 D 6.47 E 3.45 F 2.538 G 1.200
Hz ppm Int.640.06 7.147 68 638.00 7.124 43 632.75 7.066 124 631.75 7.054 107 630.38 7.039 66 626.50 6.996 42 624.19 6.970 158 595.63 6.651 67 594.88 6.643 108 594.31 6.636 155 593.69 6.629 131 593.00 6.622 118 588.25 6.569 49 587.13 6.556 95 586.56 6.550 116 586.00 6.544 119 584.31 6.525 355 583.50 6.516 285 582.94 6.509 338 580.81 6.486 107 577.81 6.452 111 576.63 6.439 100 575.50 6.426 64 574.38 6.414 54 309.44 3.456 590 239.75 2.677 67 232.06 2.592 227 224.50 2.507 257 217.00 2.423 102 114.63 1.280 449 107.25 1.198 1000 106.81 1.193 664 99.50 1.111 340
in CDCl3
CCl4 solution
liquid film
