3-(2-PYRIDYL)-5,6-DIPHENYL-1,2,4-TRIAZINE(1046-56-6) MS
Product Name3-(2-PYRIDYL)-5,6-DIPHENYL-1,2,4-TRIAZINE
CAS1046-56-6
Molecular FormulaC20H14N4
Molecular Weight310.35
InChIInChI=1S/C20H14N4/c1-3-9-15(10-4-1)18-19(16-11-5-2-6-12-16)23-24-20(22-18)17-13-7-8-14-21-17/h1-14H
InChIKey OTMYLOBWDNFTLO-UHFFFAOYSA-N
SmilesN1C(C2=CC=CC=C2)=C(C2=CC=CC=C2)N=C(C2=NC=CC=C2)N=1
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MassMS-NW-7118 5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazine C20H14N4 (Mass of molecular ion: 310)
Source Temperature: 200 °C Sample Temperature: 140 °C Direct, 75 eV
17.0 1.4 18.0 5.2 39.0 1.3 50.0 1.8 51.0 3.1 52.0 1.4 63.0 1.2 75.0 1.3 76.0 3.5 77.0 2.9 78.0 1.2 102.0 1.0 103.0 2.6 104.0 1.7 126.0 2.0 139.0 1.4 150.0 1.5 151.0 4.1 152.0 5.3 176.0 8.2 177.0 5.4 178.0 100.0 179.0 16.2 180.0 1.4 310.0 6.9 311.0 1.7
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C20 H14 N4 0.042 g : 0.5 ml CDCl3 5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazine 
Assign. Shift(ppm)
A 8.919 B 8.705 C 7.916 D 7.75 to 7.49 E 7.49 to 7.24
Hz ppm Int.802.69 8.963 123 801.69 8.952 143 800.81 8.942 148 799.94 8.932 146 797.88 8.909 139 797.00 8.900 167 796.06 8.889 157 795.19 8.879 142 784.81 8.763 138 783.63 8.750 190 782.63 8.739 129 776.88 8.675 171 775.81 8.663 231 774.75 8.651 152 718.13 8.019 135 716.25 7.998 136 710.50 7.934 230 708.69 7.914 217 702.63 7.846 172 700.75 7.825 157 694.94 7.760 67 693.25 7.741 261 691.31 7.719 294 689.25 7.696 334 688.38 7.687 265 686.88 7.670 445 685.75 7.657 300 683.50 7.632 666 681.81 7.613 266 680.44 7.598 303 679.44 7.587 409 677.44 7.565 151 675.13 7.539 239 673.88 7.525 225 672.63 7.511 125 672.06 7.505 105 671.75 7.501 98 670.38 7.486 222 669.13 7.472 306 667.50 7.454 341 664.94 7.425 802 663.00 7.403 1000 660.88 7.380 470 659.19 7.361 418 657.94 7.347 464 656.00 7.325 317 654.06 7.304 143 653.25 7.294 106 651.00 7.269 119 649.56 7.253 59 649.44 7.252 59 648.69 7.244 70 646.94 7.224 61
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1H NMR 399.65 MHz C20 H14 N4 0.030 g : 0.5 ml CDCl3 5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazine Assign. Shift(ppm)
A 8.927 B 8.717 C 7.936 D 7.687 E 7.640 F 7.482 G 7.44 J 7.42 K 7.38 L 7.36 ASSIGNED BY H-H COSY. 90MHZ : HSP-04-833
Hz ppm Int.3571.53 8.937 300 3570.56 8.935 354 3569.70 8.933 370 3568.85 8.930 342 3566.77 8.925 321 3565.80 8.923 367 3564.94 8.921 351 3564.09 8.919 315 3489.01 8.731 320 3487.92 8.728 501 3486.94 8.725 343 3484.25 8.719 54 3481.08 8.711 344 3479.98 8.708 520 3479.00 8.706 348 3180.30 7.958 275 3178.47 7.954 285 3176.27 7.948 51 3172.36 7.938 415 3170.53 7.934 407 3167.11 7.925 45 3164.79 7.919 282 3162.96 7.915 281 3078.98 7.705 158 3076.90 7.699 613 3075.68 7.696 791 3074.22 7.693 409 3070.80 7.684 298 3068.73 7.679 1000 3067.26 7.675 738 3060.42 7.658 141 3057.98 7.652 599 3056.52 7.648 786 3054.81 7.644 416 3052.12 7.637 293 3049.93 7.632 877 3048.34 7.628 705 2997.19 7.500 317 2995.97 7.497 336 2992.43 7.488 323 2991.21 7.485 348 2989.62 7.481 329 2988.40 7.478 313 2984.86 7.469 321 2983.64 7.466 325 2982.42 7.463 161 2981.08 7.460 241 2980.10 7.457 218 2978.76 7.454 147 2976.20 7.448 236 2973.75 7.441 589 2973.14 7.440 604 2971.56 7.436 299 2970.09 7.432 256 2967.41 7.426 538 2966.31 7.423 666 2965.82 7.422 747 2964.11 7.417 401 2963.26 7.415 273 2961.43 7.411 597 2960.69 7.409 829 2959.23 7.405 400 2955.44 7.396 421 2954.83 7.394 427 2953.49 7.391 867 2952.76 7.389 642 2951.29 7.385 357 2949.95 7.382 583 2949.34 7.380 726 2948.00 7.377 429 2946.78 7.374 377 2944.70 7.369 310 2943.12 7.365 547 2941.65 7.361 935 2938.84 7.354 151 2936.16 7.347 185 2934.57 7.343 373 2933.47 7.341 238
in CDCl3
KBr disc
nujol mull
