2-Aminodiphenylamine(534-85-0) MS
Product Name2-Aminodiphenylamine
CAS534-85-0
Molecular FormulaC12H12N2
Molecular Weight184.24
InChIInChI=1S/C12H12N2/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,13H2
InChIKey NFCPRRWCTNLGSN-UHFFFAOYSA-N
SmilesC1(NC2=CC=CC=C2)=CC=CC=C1N
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MassMS-NW-6882 N-phenyl-o-phenylenediamine C12H12N2 (Mass of molecular ion: 184)
Source Temperature: 120 °C Sample Temperature: 110 °C Direct, 75 eV
27.0 1.6 28.0 2.1 38.0 1.0 39.0 4.4 50.0 1.9 51.0 6.1 52.0 3.7 53.0 3.5 54.0 1.1 63.0 1.9 64.0 1.5 65.0 5.6 66.0 2.6 77.0 5.5 78.0 2.7 79.0 2.6 80.0 9.1 81.0 1.6 83.5 2.6 90.0 1.0 91.0 7.0 91.5 2.1 92.0 5.7 93.0 1.7 105.0 1.1 107.0 5.7 117.0 1.5 118.0 4.1 119.0 1.8 128.0 1.0 154.0 1.2 156.0 2.6 157.0 1.5 158.0 1.6 166.0 3.2 167.0 3.2 168.0 2.7 169.0 24.3 170.0 3.2 181.0 5.4 182.0 11.3 183.0 32.3 184.0 100.0 185.0 13.9
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C12 H12 N2 0.043 g : 0.5 ml CDCl3 N-phenyl-o-phenylenediamine 
Assign. Shift(ppm)
A 7.186 B 7.095 C 7.000 D 6.804 E 6.77 F 6.74 G 6.711 J 5.15 K 3.70
Hz ppm Int.2884.16 7.217 43 2881.84 7.211 101 2879.88 7.207 534 2877.69 7.201 216 2872.44 7.188 740 2871.22 7.185 724 2869.26 7.180 129 2865.84 7.171 230 2863.89 7.166 650 2861.69 7.161 92 2843.99 7.117 30 2840.33 7.108 369 2838.87 7.104 418 2835.57 7.096 36 2832.52 7.088 399 2831.05 7.084 455 2805.91 7.021 227 2804.44 7.018 227 2798.58 7.003 343 2797.97 7.002 335 2797.12 6.999 345 2793.70 6.991 30 2790.65 6.983 306 2789.18 6.980 288 2727.66 6.826 165 2726.56 6.823 297 2725.46 6.820 189 2720.34 6.807 253 2719.24 6.805 514 2718.26 6.802 291 2715.33 6.795 47 2712.89 6.789 176 2711.79 6.786 290 2710.69 6.783 215 2709.72 6.781 409 2708.25 6.777 535 2701.42 6.760 576 2700.32 6.757 546 2699.95 6.756 533 2696.66 6.748 72 2693.85 6.741 457 2692.38 6.737 392 2687.99 6.726 176 2686.04 6.721 904 2684.81 6.718 1000 2682.86 6.714 260 2679.32 6.705 252 2678.34 6.702 404 2677.37 6.700 764 2676.27 6.697 647 2673.95 6.691 95 2056.76 5.147 73 1480.22 3.704 79
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1H NMR 89.56 MHz C12 H12 N2 0.042 g : 0.5 ml CDCl3 N-phenyl-o-phenylenediamine Assign. Shift(ppm)
A 7.19 B 7.09 C 6.99 D 6.83 to 6.69 E 6.70 F 4.18 400MHZ : HSP-41-750
Hz ppm Int.651.94 7.280 195 651.00 7.269 255 650.50 7.264 145 649.19 7.249 143 645.44 7.207 152 644.19 7.193 737 642.50 7.174 415 641.25 7.161 186 640.25 7.149 220 638.56 7.130 468 638.06 7.125 407 636.00 7.102 692 635.44 7.096 538 633.94 7.079 254 632.38 7.061 291 631.13 7.048 573 630.63 7.042 477 629.69 7.031 191 627.00 7.001 241 626.44 6.995 280 625.94 6.990 303 620.75 6.932 538 619.00 6.912 369 616.69 6.886 162 615.44 6.872 298 614.19 6.858 291 609.69 6.808 1000 608.94 6.800 978 607.94 6.789 852 606.13 6.768 347 605.00 6.756 728 603.69 6.741 964 603.13 6.735 887 602.00 6.722 455 601.31 6.715 468 600.81 6.709 593 600.13 6.701 289 598.31 6.681 236 597.81 6.675 243 597.31 6.670 244 596.50 6.661 632 595.75 6.652 510 595.31 6.648 553 593.88 6.632 166 374.13 4.178 144
in CDCl3
KBr disc
nujol mull
