N-PHENYLETHYLENEDIAMINE(1664-40-0) IR1
Product NameN-PHENYLETHYLENEDIAMINE
CAS1664-40-0
Molecular FormulaC8H12N2
Molecular Weight136.19
InChIInChI=1S/C8H12N2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2
InChIKey OCIDXARMXNJACB-UHFFFAOYSA-N
SmilesC(NC1=CC=CC=C1)CN
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MassMS-NW-5596 N-phenylethylenediamine C8H12N2 (Mass of molecular ion: 136)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 1.1 28.0 2.8 30.0 10.5 39.0 2.1 42.0 1.1 50.0 1.8 51.0 6.8 52.0 1.3 65.0 1.8 66.0 1.1 77.0 18.4 78.0 4.1 79.0 8.1 91.0 1.3 93.0 2.4 104.0 3.3 105.0 2.9 106.0 100.0 107.0 19.7 108.0 1.2 118.0 1.0 136.0 20.1 137.0 1.9
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C8 H12 N2 0.05 ml : 0.5 ml CDCl3 N-phenylethylenediamine 
Assign. Shift(ppm)
A 7.141 B 6.671 C 6.580 D 4.1 E 3.068 F 2.821 G 1.3
Hz ppm Int.2864.14 7.167 161 2861.94 7.162 763 2861.08 7.159 386 2859.86 7.156 292 2856.81 7.149 233 2854.61 7.143 1000 2853.39 7.140 941 2852.66 7.138 552 2851.20 7.135 179 2848.02 7.127 335 2846.92 7.124 376 2846.07 7.122 829 2843.75 7.116 126 2841.92 7.112 40 2841.06 7.109 34 2840.09 7.107 36 2677.25 6.699 39 2674.44 6.692 230 2673.34 6.690 402 2672.24 6.687 260 2666.99 6.674 349 2666.02 6.671 681 2665.04 6.669 389 2662.60 6.663 45 2659.79 6.656 209 2658.69 6.653 354 2657.59 6.650 218 2641.36 6.610 40 2640.14 6.607 53 2639.28 6.604 58 2634.03 6.591 867 2632.93 6.589 964 2630.86 6.583 309 2627.32 6.575 350 2626.34 6.572 537 2625.37 6.570 881 2624.39 6.567 768 2622.07 6.561 126 1627.93 4.074 34 1232.30 3.084 526 1226.56 3.070 855 1220.46 3.054 601 1133.06 2.836 446 1127.08 2.821 607 1121.34 2.806 338 510.74 1.278 109
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1H NMR 89.56 MHz C8 H12 N2 0.04 ml : 0.5 ml CDCl3 N-phenylethylenediamine Assign. Shift(ppm)
A 7.153 B 6.68 C 6.63 D 3.14 E 2.92 F 2.07
Hz ppm Int.650.13 7.260 316 649.44 7.252 351 648.69 7.244 217 647.75 7.233 323 644.69 7.199 99 643.63 7.187 351 642.13 7.170 750 641.56 7.164 784 641.06 7.158 639 636.00 7.102 331 634.25 7.082 842 633.69 7.076 619 631.69 7.054 154 607.13 6.780 174 605.81 6.765 357 604.75 6.753 363 600.50 6.706 115 599.38 6.693 342 598.31 6.681 739 597.19 6.669 1000 595.94 6.655 939 593.56 6.628 197 592.50 6.616 176 591.31 6.603 338 590.13 6.590 403 588.63 6.573 712 587.56 6.561 570 584.81 6.530 93 289.50 3.233 189 287.75 3.213 219 284.31 3.175 294 282.94 3.160 662 281.38 3.142 498 279.56 3.122 124 277.50 3.099 719 276.94 3.093 716 266.25 2.973 732 265.50 2.965 669 261.75 2.923 507 260.25 2.906 689 258.69 2.889 324 255.31 2.851 256 253.69 2.833 227 183.31 2.047 86
in CDCl3
liquid film
