3-ISOPROPYLANILINE(5369-16-4) IR1
Product Name3-ISOPROPYLANILINE
CAS5369-16-4
Molecular FormulaC9H13N
Molecular Weight135.21
InChIInChI=1S/C9H13N/c1-7(2)8-4-3-5-9(10)6-8/h3-7H,10H2,1-2H3
InChIKey XCCNRBCNYGWTQX-UHFFFAOYSA-N
SmilesC1(N)=CC=CC(C(C)C)=C1
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MassMS-IW-4778 m-isopropylaniline C9H13N (Mass of molecular ion: 135)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 1.2 28.0 1.8 39.0 3.9 41.0 2.4 42.0 2.7 51.0 2.1 52.0 1.5 53.0 1.5 54.0 1.2 58.5 4.8 59.0 1.1 59.5 1.7 60.0 2.9 63.0 1.6 65.0 6.3 65.5 1.2 66.0 2.5 66.5 1.3 67.0 1.1 77.0 8.0 78.0 1.7 79.0 2.2 80.0 1.4 89.0 1.0 91.0 7.6 92.0 3.8 93.0 9.9 94.0 7.4 103.0 9.1 104.0 1.8 106.0 5.9 107.0 10.1 117.0 2.4 118.0 5.5 119.0 5.7 120.0 100.0 121.0 9.8 134.0 3.5 135.0 57.0 136.0 6.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H13 N 0.05 ml : 0.5 ml CDCl3 m-isopropylaniline 
Assign. Shift(ppm)
A 7.056 B 6.624 C 6.520 D 6.464 E 3.54 F 2.782 G 1.205
Hz ppm Int.2827.88 7.076 91 2820.19 7.057 175 2812.50 7.038 102 2652.59 6.638 60 2651.98 6.636 71 2651.61 6.635 76 2651.00 6.634 103 2650.39 6.632 80 2649.90 6.631 79 2649.41 6.630 66 2644.90 6.619 54 2644.41 6.617 65 2643.92 6.616 70 2643.31 6.615 96 2642.70 6.613 74 2642.33 6.612 69 2641.72 6.611 62 2607.91 6.526 101 2607.42 6.525 82 2606.20 6.522 136 2605.59 6.520 148 2603.88 6.516 112 2588.99 6.479 90 2588.01 6.476 94 2586.55 6.473 79 2585.69 6.470 76 2581.05 6.459 85 2580.20 6.457 86 2578.74 6.453 75 2577.76 6.451 71 1119.02 2.800 64 1112.06 2.783 84 1105.22 2.766 65 485.11 1.214 1000 478.15 1.197 965
in CDCl3
liquid film
