N-Isopropyl-N'-phenyl-1,4-phenylenediamine (101-72-4) 13C NMR
Product NameN-Isopropyl-N'-phenyl-1,4-phenylenediamine
CAS101-72-4
Molecular FormulaC15H18N2
Molecular Weight226.32
InChIInChI=1S/C15H18N2/c1-12(2)16-14-8-10-15(11-9-14)17-13-6-4-3-5-7-13/h3-12,16-17H,1-2H3
InChIKey OUBMGJOQLXMSNT-UHFFFAOYSA-N
SmilesC1(NC(C)C)=CC=C(NC2=CC=CC=C2)C=C1
-
MassMS-IW-6346 n-isopropyl-N'-phenyl-p-phenylenediamine C15H18N2 (Mass of molecular ion: 226)
Source Temperature: 140 °C Sample Temperature: 110 °C Direct, 75 eV
51.0 1.6 65.0 1.5 77.0 3.5 80.0 1.0 91.0 1.7 92.0 1.6 93.0 1.1 104.0 1.0 104.5 1.0 105.0 3.4 105.5 9.1 106.0 2.0 107.0 1.2 113.0 1.0 117.0 1.3 118.0 4.7 119.0 3.9 128.0 1.6 129.0 1.4 139.0 1.0 154.0 1.5 156.0 1.1 166.0 3.3 167.0 8.5 168.0 5.3 169.0 8.8 170.0 1.2 181.0 1.8 182.0 3.6 183.0 26.6 184.0 6.5 195.0 1.4 209.0 2.9 210.0 2.9 211.0 100.0 212.0 15.9 213.0 1.3 224.0 2.7 225.0 6.2 226.0 86.0 227.0 15.0 228.0 1.2
400 MHz in CDCl3
-
1H NMR 399.65 MHz C15 H18 N2 0.038 g : 0.5 ml CDCl3 N-isopropyl-N'-phenyl-p-phenylenediamine 
Assign. Shift(ppm)
A 7.163 B 6.983 C 6.815 D 6.758 E 6.560 F *1 5.36 G 3.579 J *1 3.3 K 1.199
Hz ppm Int.2871.46 7.185 111 2869.38 7.180 37 2864.14 7.167 151 2862.92 7.164 154 2857.54 7.151 46 2855.59 7.146 139 2795.78 6.996 233 2793.58 6.991 72 2789.18 6.980 76 2786.87 6.974 257 2783.69 6.966 30 2728.64 6.828 137 2727.54 6.825 180 2726.68 6.823 92 2725.46 6.820 48 2721.92 6.811 46 2720.95 6.809 82 2719.85 6.806 153 2718.87 6.804 137 2709.11 6.779 40 2708.01 6.776 61 2706.91 6.774 32 2701.90 6.761 58 2700.68 6.758 106 2699.71 6.756 50 2694.46 6.743 33 2693.36 6.740 51 2626.22 6.572 238 2624.02 6.566 71 2619.63 6.555 68 2617.43 6.550 219 1437.13 3.596 59 1430.91 3.581 80 1424.56 3.565 61 482.54 1.208 982 476.20 1.192 1000
in CDCl3
KBr disc
nujol mull
