3-(4-PHENYL-2-PYRIDYL)-5,6-DIPHENYL-1,2,4-TRIAZINE(1058-71-5) 13C NMR
Product Name3-(4-PHENYL-2-PYRIDYL)-5,6-DIPHENYL-1,2,4-TRIAZINE
CAS1058-71-5
Molecular FormulaC26H18N4
Molecular Weight386.45
InChIInChI=1S/C26H18N4/c1-4-10-19(11-5-1)22-16-17-27-23(18-22)26-28-24(20-12-6-2-7-13-20)25(29-30-26)21-14-8-3-9-15-21/h1-18H
InChIKey ABWPKESIPFFOLV-UHFFFAOYSA-N
SmilesN1C(C2=CC=CC=C2)=C(C2=CC=CC=C2)N=C(C2=NC=CC(C3=CC=CC=C3)=C2)N=1
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MassMS-NW-7127 5,6-diphenyl-3-(4-phenyl-2-pyridyl)-1,2,4-triazine C26H18N4 (Mass of molecular ion: 386)
Source Temperature: 220 °C Sample Temperature: 170 °C Direct, 75 eV
18.0 2.3 51.0 1.4 76.0 1.7 77.0 1.5 102.0 1.4 103.0 1.9 126.0 1.7 127.0 1.1 139.0 1.0 151.0 2.6 152.0 4.4 153.0 1.2 176.0 5.9 177.0 3.9 178.0 100.0 179.0 16.3 180.0 3.8 386.0 4.6 387.0 1.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C26 H18 N4 0.037 g : 0.5 ml CDCl3 5,6-diphenyl-3-(4-phenyl-2-pyridyl)-1,2,4-triazine 
Assign. Shift(ppm)
A 8.985 B 8.953 C 7.789 D *1 7.70 E 7.70 F *1 7.653 G 7.53 J 7.49 K *2 7.45 L *2 7.44 M *3 7.39 N *3 7.37 ASSIGNED BY H-H AND C-H COSY
Hz ppm Int.3592.53 8.990 536 3591.67 8.988 648 3590.70 8.985 597 3589.84 8.983 573 3586.79 8.975 36 3583.50 8.967 573 3582.76 8.965 497 3578.49 8.955 591 3577.76 8.953 524 3118.65 7.804 514 3117.19 7.800 723 3115.11 7.795 192 3111.94 7.787 375 3110.23 7.783 746 3109.01 7.780 596 3106.69 7.774 90 3085.21 7.720 107 3083.13 7.715 569 3081.91 7.712 752 3081.18 7.710 793 3080.44 7.708 442 3079.35 7.706 565 3076.05 7.697 678 3074.95 7.695 1000 3074.22 7.693 779 3073.49 7.691 701 3066.04 7.672 92 3063.60 7.666 531 3062.13 7.663 668 3060.55 7.659 319 3057.74 7.652 218 3055.66 7.646 740 3053.96 7.642 630 3017.58 7.551 202 3016.11 7.547 326 3014.28 7.543 135 3009.16 7.530 769 3007.45 7.526 349 3003.05 7.515 278 3001.71 7.511 564 2999.27 7.505 101 2994.87 7.494 240 2993.41 7.491 431 2992.07 7.487 246 2988.77 7.479 149 2986.33 7.473 423 2983.40 7.466 143 2982.54 7.463 203 2980.83 7.459 170 2979.00 7.455 183 2977.66 7.451 200 2975.34 7.445 448 2973.14 7.440 411 2970.70 7.434 177 2969.12 7.430 291 2967.90 7.427 611 2966.43 7.423 655 2964.84 7.419 304 2962.52 7.413 519 2961.79 7.411 695 2960.45 7.408 304 2956.67 7.399 332 2956.05 7.397 336 2954.59 7.393 778 2953.98 7.392 577 2952.64 7.389 566 2952.03 7.387 669 2950.56 7.383 298 2949.58 7.381 190 2948.00 7.377 282 2947.51 7.376 266 2945.80 7.371 607 2944.34 7.368 819 2942.75 7.364 205 2938.84 7.354 152 2937.26 7.350 348 2936.04 7.347 207
in CDCl3
KBr disc
nujol mull
