2-Cyanopyridine(100-70-9) MS
Product Name2-Cyanopyridine
CAS100-70-9
Molecular FormulaC6H4N2
Molecular Weight104.11
InChIInChI=1S/C6H4N2/c7-5-6-3-1-2-4-8-6/h1-4H
InChIKey FFNVQNRYTPFDDP-UHFFFAOYSA-N
SmilesC1(C#N)=NC=CC=C1
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MassMS-NW-1288 2-pyridinecarbonitrile C6H4N2 (Mass of molecular ion: 104)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
18.0 2.1 26.0 8.4 27.0 1.8 28.0 2.6 37.0 3.0 38.0 3.1 39.0 2.1 49.0 3.1 50.0 18.5 51.0 14.4 52.0 9.6 53.0 5.9 64.0 4.1 75.0 5.2 76.0 10.5 77.0 41.0 78.0 7.4 103.0 3.3 104.0 100.0 105.0 7.2
90 MHz in CDCl3
parameter in CCl4
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1H NMR 89.56 MHz C6 H4 N2 0.04 ml : 0.5 ml CDCl3 2-pyridinecarbonitrile 
Assign. Shift(ppm)
A 8.742 B 7.881 C 7.747 D 7.579
Hz ppm Int.786.81 8.786 264 785.81 8.775 316 785.06 8.766 340 784.06 8.755 306 782.06 8.733 306 781.06 8.722 343 780.31 8.713 362 779.31 8.702 316 716.81 8.004 248 715.06 7.985 250 709.56 7.923 396 709.06 7.918 584 707.81 7.904 362 707.31 7.898 608 705.88 7.882 37 701.81 7.837 992 700.06 7.817 953 697.44 7.788 631 696.38 7.776 696 695.63 7.768 1000 694.63 7.757 936 692.44 7.732 35 691.38 7.720 42 689.69 7.701 396 688.63 7.690 381 687.88 7.681 245 686.88 7.670 218 684.75 7.646 756 682.94 7.626 534 679.94 7.593 661 678.19 7.573 508 677.44 7.565 493 675.63 7.544 388 672.69 7.512 434 670.88 7.491 365
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1H NMR 300 MHz C6 H4 N2 10 vol% in CCl4 2-pyridinecarbonitrile Parameter ppm Hz
D(A) 8.69 D(B) 7.55 D(C) 7.88 D(D) 7.70 J(A,B) 4.84 J(A,C) 1.74 J(A,D) 0.96 J(B,C) 7.85 J(B,D) 1.19 J(C,D) 7.80 SMITH,W.B. & ROARK,J.L. J.PHYS.CHEM. 73, 1049 (1969)
Hz ppm Int.2610.78 8.703 521 2609.81 8.699 601 2609.07 8.697 609 2608.11 8.694 549 2605.95 8.686 554 2604.98 8.683 619 2604.24 8.681 619 2603.27 8.678 544 2373.10 7.910 371 2371.37 7.905 369 2365.30 7.884 910 2363.57 7.879 899 2357.50 7.858 578 2355.78 7.853 568 2314.71 7.716 607 2313.62 7.712 1000 2312.56 7.709 653 2306.91 7.690 476 2305.83 7.686 750 2304.76 7.683 472 2271.76 7.573 542 2270.52 7.568 517 2266.92 7.556 538 2265.70 7.552 525 2263.96 7.547 487 2262.72 7.542 454 2259.12 7.530 451 2257.90 7.526 432
in CDCl3
CCl4 solution
liquid film
