DI-2-PYRIDYL KETONE(19437-26-4) IR2
Product NameDI-2-PYRIDYL KETONE
CAS19437-26-4
Molecular FormulaC11H8N2O
Molecular Weight184.19
InChIInChI=1S/C11H8N2O/c14-11(9-5-1-3-7-12-9)10-6-2-4-8-13-10/h1-8H
InChIKey QPOWUYJWCJRLEE-UHFFFAOYSA-N
SmilesC(C1=NC=CC=C1)(C1=NC=CC=C1)=O
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MassMS-NW-8222 di(2-pyridyl) ketone C11H8N2O (Mass of molecular ion: 184)
Source Temperature: 140 °C Sample Temperature: 110 °C Direct, 75 eV
18.0 1.4 26.0 1.4 27.0 6.6 28.0 4.3 39.0 1.9 50.0 5.8 51.0 33.8 52.0 12.5 53.0 1.4 75.0 1.1 76.0 2.5 77.0 3.1 78.0 100.0 79.0 9.6 92.0 1.4 101.0 1.1 102.0 1.4 103.0 1.9 104.0 1.4 106.0 8.0 128.0 8.7 129.0 14.2 130.0 8.7 155.0 33.9 156.0 67.6 157.0 7.7 183.0 5.9 184.0 77.2 185.0 11.3 186.0 1.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C11 H8 N2 O 0.044 g : 0.5 ml CDCl3 di(2-pyridyl) ketone 
Assign. Shift(ppm)
A 8.754 B 8.088 C 7.893 D 7.487 J(A,B)=1.0HZ. J(A,C)=1.7HZ. J(A,D)=4.7HZ. J(B,C)=7.8HZ. J(B,D)=1.5HZ. J(D,C)=7.5HZ.
Hz ppm Int.787.81 8.797 354 786.88 8.787 442 786.13 8.778 446 785.13 8.767 403 783.06 8.744 411 782.13 8.734 486 781.38 8.725 469 780.44 8.715 417 731.00 8.163 321 730.00 8.151 389 729.50 8.146 429 728.50 8.135 384 723.25 8.076 796 722.25 8.065 914 721.69 8.059 910 720.75 8.048 776 714.56 7.979 751 712.81 7.960 720 707.13 7.896 1000 705.44 7.877 944 699.38 7.810 544 697.63 7.790 508 676.56 7.555 707 675.06 7.538 697 671.81 7.502 646 670.31 7.485 654 669.13 7.472 479 667.63 7.455 451 664.38 7.419 452 662.88 7.402 435
in CDCl3
KBr disc
nujol mull
