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MassMS-NW-0371 2-benzoylpyridine C12H9NO (Mass of molecular ion: 183)
Source Temperature: 120 °C Sample Temperature: 100 °C Direct, 75 eV
27.0 3.5 38.0 1.0 39.0 2.2 50.0 9.9 51.0 35.4 52.0 6.1 63.0 1.5 74.0 3.1 75.0 2.9 76.0 5.2 76.5 1.2 77.0 95.2 77.5 1.0 78.0 18.0 79.0 1.5 91.5 4.2 102.0 1.0 104.0 1.0 105.0 100.0 106.0 8.1 126.0 1.2 127.0 4.9 128.0 2.9 153.0 1.8 154.0 28.1 155.0 94.5 156.0 11.5 182.0 59.8 183.0 71.1 184.0 9.4
90 MHz in CDCl3
400 MHz in CDCl3
parameter in CDCl3
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1H NMR 89.56 MHz C12 H9 N O 0.040 g : 0.5 ml CDCl3 2-benzoylpyridine 
Assign. Shift(ppm)
A 8.708 B 8.06 C 8.03 D 7.883 E 7.54 F 7.58 to 7.34 CONFIRMED BY LAOCN PROGRAM.
Hz ppm Int.783.81 8.752 140 782.75 8.740 182 782.19 8.734 181 781.13 8.722 171 779.06 8.699 165 778.06 8.688 198 777.38 8.680 193 776.38 8.669 184 727.81 8.127 387 726.06 8.107 405 725.00 8.096 162 724.50 8.090 241 723.31 8.077 215 722.31 8.066 265 720.81 8.049 326 720.31 8.043 313 718.06 8.018 536 717.19 8.008 397 716.19 7.997 373 715.50 7.990 359 714.50 7.978 318 712.88 7.960 291 711.19 7.941 279 705.69 7.880 330 703.94 7.860 312 697.88 7.793 149 696.13 7.773 147 686.06 7.661 48 681.19 7.606 127 679.81 7.591 162 677.06 7.560 174 676.44 7.553 306 674.63 7.533 1000 672.81 7.513 539 672.06 7.505 281 671.38 7.497 204 669.81 7.479 308 669.13 7.472 238 668.13 7.461 483 667.44 7.453 492 665.63 7.433 209 664.56 7.421 70 663.56 7.410 82 662.56 7.398 175 662.00 7.392 150 660.88 7.380 169 658.63 7.355 77
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1H NMR 399.65 MHz C12 H9 N O 0.042 g : 0.5 ml CDCl3 2-benzoylpyridine Assign. Shift(ppm)
A 8.723 B 8.07 C 8.037 D 7.893 E 7.588 F 7.49 G 7.48
Hz ppm Int.3489.75 8.733 247 3488.77 8.730 285 3488.04 8.728 289 3487.06 8.726 260 3484.99 8.721 252 3484.01 8.718 284 3483.28 8.716 275 3482.30 8.714 242 3239.14 8.105 30 3238.16 8.103 32 3236.94 8.100 36 3231.45 8.086 161 3229.74 8.082 741 3229.13 8.080 596 3228.39 8.079 899 3227.78 8.077 382 3227.17 8.075 348 3223.39 8.066 298 3221.31 8.061 1000 3219.97 8.057 894 3217.41 8.051 317 3216.43 8.049 429 3215.21 8.046 307 3209.59 8.032 386 3208.62 8.029 530 3207.40 8.026 371 3162.60 7.914 374 3160.89 7.910 366 3158.45 7.904 30 3157.47 7.901 34 3154.91 7.895 541 3153.20 7.890 553 3147.22 7.875 306 3145.39 7.871 305 3042.48 7.613 133 3041.14 7.610 245 3039.79 7.607 144 3038.57 7.604 35 3037.35 7.601 39 3035.77 7.597 175 3033.69 7.591 477 3031.74 7.586 197 3030.15 7.583 42 3027.71 7.576 263 3026.37 7.573 456 3024.90 7.569 234 3009.03 7.530 36 3008.54 7.528 38 3007.93 7.527 36 3006.96 7.524 37 3000.85 7.509 197 2999.63 7.506 564 2999.15 7.505 684 2997.68 7.501 344 2995.73 7.496 400 2994.38 7.493 418 2992.55 7.488 531 2991.33 7.485 987 2989.62 7.481 529 2988.04 7.477 358 2986.82 7.474 350 2985.72 7.471 233 2984.01 7.467 485 2983.28 7.465 582 2982.06 7.462 344
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1H NMR 300 MHz C12 H9 N O 20 wt% in CCl4 2-benzoylpyridine Parameter ppm Hz
D(A) 8.115 D(B) 7.372 D(C) 7.461 J(A,A') 1.73 J(A,B) 7.90 J(A,B') 0.59 J(A,C) 1.34 J(A',B) 0.59 J(A',B') 7.90 J(A',C) 1.34 J(B,B') 1.30 J(B,C) 7.44 J(B',C) 7.44 D(D) 8.569 D(E) 7.300 D(F) 7.721 D(G) 7.955 J(D,E) 4.76 J(D,F) 1.77 J(D,G) 0.93 J(E,F) 7.58 J(E,G) 1.24 J(F,G) 7.88 CASTELLANO,S. & BOTHNER-BY,A.A. J.CHEM.PHYS. 41, 3863 (1964)
Hz ppm Int.2574.44 8.581 307 2573.52 8.578 347 2572.69 8.576 352 2571.77 8.573 325 2569.68 8.566 325 2568.75 8.563 359 2567.94 8.560 358 2567.02 8.557 321 2441.36 8.138 103 2439.45 8.131 637 2438.13 8.127 785 2436.68 8.122 386 2433.19 8.111 254 2431.13 8.104 1000 2429.62 8.099 763 2391.73 7.972 287 2390.65 7.969 429 2389.60 7.965 291 2383.85 7.946 362 2382.78 7.943 542 2381.73 7.939 360 2324.80 7.749 286 2323.03 7.743 284 2317.13 7.724 473 2315.38 7.718 463 2309.36 7.698 260 2307.59 7.692 255 2248.04 7.493 81 2246.63 7.489 157 2245.21 7.484 92 2241.91 7.473 118 2239.40 7.465 451 2236.97 7.457 153 2233.50 7.445 260 2232.03 7.440 459 2230.56 7.435 231 2220.34 7.401 155 2219.12 7.397 524 2218.44 7.395 714 2217.13 7.390 337 2212.29 7.374 536 2210.87 7.370 984 2205.30 7.351 164 2203.77 7.346 407 2202.53 7.342 242 2196.66 7.322 308 2195.40 7.318 306 2191.91 7.306 306 2190.65 7.302 312 2189.09 7.297 291 2187.85 7.293 276 2184.34 7.281 267 2183.09 7.277 262
in CDCl3
CCl4 solution
KBr disc
nujol mull
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