3,5-DI(2-PYRIDYL)PYRAZOLE(129485-83-2) MS
Product Name3,5-DI(2-PYRIDYL)PYRAZOLE
CAS129485-83-2
Molecular FormulaC13H10N4
Molecular Weight222.25
InChIInChI=1S/C13H10N4/c1-3-7-14-10(5-1)12-9-13(17-16-12)11-6-2-4-8-15-11/h1-9H,(H,16,17)
InChIKey IMDRKCUYKQQEAC-UHFFFAOYSA-N
SmilesN1C(C2=NC=CC=C2)=CC(C2=NC=CC=C2)=N1
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MassMS-IW-1766 3,5-di(2-pyridyl)pyrazole C13H10N4 (Mass of molecular ion: 222)
Source Temperature: 160 °C Sample Temperature: 120 °C Direct, 75 eV
39.0 1.5 50.0 1.3 51.0 5.1 52.0 2.6 62.0 1.1 63.0 2.8 64.0 1.2 70.5 2.6 78.0 7.7 79.0 1.4 82.5 1.3 83.5 3.9 88.0 1.1 89.0 4.0 90.0 2.0 91.0 1.6 96.5 2.2 97.0 2.7 104.0 1.0 111.0 3.0 114.0 1.3 115.0 1.1 116.0 1.2 139.0 1.8 140.0 2.2 141.0 2.6 165.0 2.1 166.0 3.6 167.0 3.6 168.0 2.3 192.0 11.6 193.0 44.3 194.0 15.1 195.0 1.8 222.0 100.0 223.0 15.9 224.0 1.1
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C13 H10 N4 0.035 g : 0.5 ml DMSO-d6 3,5-di(2-pyridyl)pyrazole 
Assign. Shift(ppm)
A 13.8 B *1 8.678 C *1 8.646 D *2 8.066 E *2 7.997 F *3 7.933 G *3 7.883 J 7.517 K *4 7.397 L *4 7.350
Hz ppm Int.5520.31 13.813 375 5510.05 13.788 30 3471.73 8.687 356 3471.08 8.686 365 3470.23 8.684 318 3467.88 8.678 323 3467.02 8.676 386 3466.17 8.674 369 3465.31 8.671 317 3459.33 8.656 313 3458.48 8.654 367 3457.84 8.653 378 3456.98 8.651 325 3454.63 8.645 329 3453.78 8.643 379 3452.92 8.640 356 3452.07 8.638 297 3228.13 8.078 422 3220.22 8.058 533 3201.20 8.011 322 3193.29 7.991 573 3181.97 7.962 32 3178.55 7.954 268 3176.84 7.950 272 3171.07 7.935 365 3169.36 7.931 366 3163.17 7.915 193 3161.46 7.911 204 3158.89 7.905 254 3157.18 7.900 250 3151.41 7.886 380 3149.70 7.882 369 3143.51 7.866 222 3141.80 7.862 216 3005.47 7.521 975 3003.54 7.516 1000 2962.94 7.414 245 2961.88 7.412 260 2958.24 7.403 258 2956.96 7.399 299 2955.68 7.396 287 2954.40 7.393 258 2950.76 7.384 254 2949.70 7.381 249 2944.35 7.368 273 2943.07 7.365 272 2939.44 7.356 274 2938.37 7.353 300 2936.87 7.349 289 2935.81 7.346 255 2931.96 7.337 251 2930.89 7.334 242
in DMSO-d6
KBr disc
nujol mull
