4-Isopropylaniline(99-88-7) IR1
Product Name4-Isopropylaniline
CAS99-88-7
Molecular FormulaC9H13N
Molecular Weight135.21
InChIInChI=1S/C9H13N/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,10H2,1-2H3
InChIKey LRTFPLFDLJYEKT-UHFFFAOYSA-N
SmilesC1(N)=CC=C(C(C)C)C=C1
-
MassMS-NW-6634 p-isopropylaniline C9H13N (Mass of molecular ion: 135)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 1.1 27.0 1.4 28.0 1.3 39.0 3.8 41.0 2.1 42.0 1.7 51.0 2.1 52.0 1.6 53.0 1.2 54.0 1.1 58.5 2.6 59.5 1.0 60.0 1.8 63.0 1.6 65.0 4.4 66.0 1.6 77.0 6.1 78.0 1.3 79.0 1.2 91.0 5.4 92.0 2.2 93.0 5.4 94.0 3.8 103.0 5.4 104.0 1.3 106.0 1.8 117.0 1.8 118.0 4.8 119.0 4.9 120.0 100.0 121.0 9.5 134.0 1.5 135.0 31.6 136.0 3.3
400 MHz in CDCl3
-
1H NMR 399.65 MHz C9 H13 N 0.05 ml : 0.5 ml CDCl3 p-isopropylaniline 
Assign. Shift(ppm)
A 6.990 B 6.568 C 3.41 D 2.781 E 1.188
Hz ppm Int.2800.90 7.009 46 2798.22 7.002 290 2796.63 6.998 111 2791.87 6.986 118 2790.04 6.982 304 2787.48 6.975 53 2631.71 6.586 56 2629.15 6.579 352 2626.95 6.574 131 2622.68 6.563 124 2620.61 6.558 325 2617.92 6.551 52 1363.77 3.413 147 1125.49 2.817 35 1118.53 2.799 83 1111.69 2.782 111 1104.74 2.765 88 1097.78 2.747 39 482.79 1.209 69 478.39 1.198 1000 471.44 1.180 968
in CDCl3
liquid film
