2-(2-PYRIDYL)BENZIMIDAZOLE(1137-68-4) 13C NMR
Product Name2-(2-PYRIDYL)BENZIMIDAZOLE
CAS1137-68-4
Molecular FormulaC12H9N3
Molecular Weight195.22
InChIInChI=1S/C12H9N3/c1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11/h1-8H,(H,14,15)
InChIKey YNFBMDWHEHETJW-UHFFFAOYSA-N
SmilesC1(C2=NC=CC=C2)NC2=CC=CC=C2N=1
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MassMS-NW-7160 2-(2-pyridyl)benzimidazole C12H9N3 (Mass of molecular ion: 195)
Source Temperature: 150 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 1.1 38.0 1.7 39.0 2.9 50.0 1.3 51.0 4.5 52.0 3.8 62.0 1.4 63.0 5.2 64.0 5.4 65.0 1.9 76.0 1.0 78.0 8.3 79.0 3.6 90.0 4.1 91.0 2.1 92.0 1.3 97.5 3.6 105.0 3.4 140.0 1.0 143.0 1.3 167.0 11.2 168.0 6.2 169.0 3.6 193.0 1.3 194.0 16.4 195.0 100.0 196.0 14.1 197.0 1.1
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C12 H9 N3 0.037 g : 0.5 ml DMSO-d6 2-(2-pyridyl)benzimidazole 
Assign. Shift(ppm)
A 13.1 B 8.762 C 8.398 D 8.027 E 7.768 F 7.609 G 7.539 J 7.29 K 7.25 ASSIGNED BY C-H COSY
Hz ppm Int.5282.89 13.219 30 5269.70 13.186 507 5258.89 13.159 46 3504.89 8.770 537 3503.98 8.768 629 3503.24 8.766 609 3502.51 8.764 518 3500.13 8.758 569 3499.21 8.756 647 3497.75 8.753 483 3361.47 8.412 573 3360.56 8.409 817 3353.60 8.392 654 3352.68 8.390 925 3216.59 8.049 415 3214.94 8.045 399 3209.08 8.030 748 3207.25 8.026 727 3204.13 8.018 63 3201.20 8.011 416 3199.37 8.006 386 3108.70 7.779 577 3101.19 7.760 629 3044.41 7.618 539 3043.49 7.616 575 3036.35 7.598 658 3027.38 7.576 31 3027.01 7.575 30 3019.50 7.556 482 3018.40 7.553 457 3014.74 7.544 489 3013.64 7.541 499 3011.99 7.537 493 3010.89 7.534 426 3007.23 7.525 451 3006.13 7.522 401 2922.97 7.314 214 2921.87 7.312 258 2916.01 7.297 654 2914.73 7.294 557 2911.80 7.286 126 2908.50 7.278 624 2906.85 7.274 1000 2905.20 7.270 588 2898.98 7.254 553 2897.69 7.251 584 2894.58 7.243 75 2891.83 7.236 242 2890.55 7.233 186
in DMSO-d6
KBr disc
nujol mull
