二(2-吡啶基)乙二酮(492-73-9)核磁圖(13CNMR)
InChI:InChI=1S/C12H8N2O2/c15-11(9-5-1-3-7-13-9)12(16)10-6-2-4-8-14-10/h1-8H
InChIKey: PIINXYKJQGMIOZ-UHFFFAOYSA-N
Smiles:C(C1=NC=CC=C1)(=O)C(C1=NC=CC=C1)=O
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Mass
MS-NW-6743
di-2-pyridyl diketone
C12H8N2O2 (Mass of molecular ion: 212)
Source Temperature: 150 °C
Sample Temperature: 100 °C
Direct, 75 eV
18.0 2.0
26.0 3.7
27.0 12.0
28.0 5.2
37.0 1.7
38.0 2.5
39.0 4.9
44.0 1.1
49.0 2.6
50.0 13.5
51.0 46.3
52.0 18.3
53.0 2.1
63.0 1.3
75.0 2.4
76.0 4.3
77.0 3.4
78.0 100.0
79.0 10.4
102.0 1.1
103.0 1.5
104.0 1.3
106.0 10.3
128.0 5.4
129.0 9.4
130.0 5.7
155.0 17.0
156.0 46.8
157.0 5.6
183.0 1.2
184.0 4.0
212.0 14.5
213.0 2.3
parameter in DMSO-d6
90 MHz in CDCl3
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| 1H NMR |
300 MHz |
| C12 H8 N2 O2
|
30 % in DMSO
|
| di-2-pyridyl diketone
|
 |
Parameter ppm Hz
D(A) 8.84
D(B) 7.89
D(C) 8.30
D(D) 8.40
J(A,B) 4.9
J(A,C) 1.8
J(A,D) 1.3
J(B,C) 7.9
J(B,D) 1.6
J(C,D) 8.0
BRUEGEL,W. Z.ELEKTROCHEM.BER.BUNSENGES.PHYS.CHEM.
66, 159 (1962)
|
Hz ppm Int.
2656.00 8.853 494
2654.48 8.848 743
2652.95 8.843 549
2651.11 8.837 549
2649.59 8.832 763
2648.07 8.827 527
2526.01 8.420 368
2524.51 8.415 590
2523.06 8.410 396
2518.01 8.393 649
2516.54 8.388 1000
2515.06 8.384 630
2498.39 8.328 541
2496.60 8.322 534
2490.52 8.302 848
2488.75 8.296 834
2482.59 8.275 370
2480.81 8.269 360
2374.04 7.913 489
2372.35 7.908 489
2369.14 7.897 496
2367.44 7.891 534
2366.28 7.888 507
2364.56 7.882 446
2361.35 7.871 427
2359.67 7.866 411
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| 1H NMR |
89.56 MHz |
| C12 H8 N2 O2
|
0.042 g : 0.5 ml CDCl3
|
| di-2-pyridyl diketone
|
|
Assign. Shift(ppm)
A 8.567
B 8.184
C 7.918
D 7.479
|
Hz ppm Int.
771.06 8.610 448
770.13 8.600 577
769.38 8.591 562
768.44 8.581 552
766.38 8.558 515
765.38 8.547 632
764.69 8.539 601
763.69 8.528 586
739.25 8.255 411
738.25 8.244 535
737.81 8.239 540
736.81 8.228 451
731.44 8.168 812
730.44 8.156 1000
730.00 8.151 961
729.06 8.141 782
716.94 8.006 651
715.25 7.987 650
709.44 7.922 974
707.75 7.903 893
701.69 7.835 524
699.94 7.816 499
675.81 7.546 722
674.38 7.530 730
671.06 7.493 644
669.63 7.477 651
668.31 7.463 511
666.88 7.447 474
663.56 7.410 461
662.13 7.394 442