2-Propylaniline(1821-39-2) 1H NMR
Product Name2-Propylaniline
CAS1821-39-2
Molecular FormulaC9H13N
Molecular Weight135.21
InChIInChI=1S/C9H13N/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7H,2,5,10H2,1H3
InChIKey WKURVXXDGMYSDP-UHFFFAOYSA-N
SmilesC1(N)=CC=CC=C1CCC
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MassMS-NW-9543 o-propylaniline C9H13N (Mass of molecular ion: 135)
Source Temperature: 250 °C Sample Temperature: 150 °C Reservoir, 75 eV
28.0 3.2 30.0 1.4 39.0 2.2 51.0 1.9 52.0 1.3 53.0 1.2 63.0 1.0 65.0 2.4 66.0 1.0 77.0 8.0 78.0 2.5 79.0 7.1 89.0 1.0 91.0 2.2 93.0 1.6 104.0 1.2 106.0 100.0 107.0 9.0 115.0 1.2 117.0 1.2 118.0 1.7 119.0 1.0 120.0 1.6 135.0 29.5 136.0 3.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H13 N 0.05 ml : 0.5 ml CDCl3 o-propylaniline 
Assign. Shift(ppm)
A 7.00 B 6.703 C 6.596 D 3.51 E 2.412 F 1.609 G 0.965
Hz ppm Int.2803.22 7.015 354 2795.53 6.995 477 2788.09 6.977 157 2786.50 6.973 116 2686.52 6.723 146 2685.30 6.720 154 2679.08 6.704 229 2677.86 6.701 256 2671.75 6.686 117 2670.41 6.682 121 2640.50 6.608 219 2632.81 6.588 218 1402.71 3.510 152 971.92 2.432 284 964.36 2.414 339 956.42 2.394 308 662.11 1.657 62 654.79 1.639 212 652.47 1.633 34 647.22 1.620 295 639.53 1.601 318 634.64 1.588 34 633.67 1.586 56 631.96 1.582 218 624.63 1.563 67 392.82 0.983 619 385.50 0.965 1000 378.05 0.946 557
in CDCl3
liquid film
