4-吡啶甲醛(872-85-5)质谱(MS)
InChI:InChI=1S/C6H5NO/c8-5-6-1-3-7-4-2-6/h1-5H
InChIKey: BGUWFUQJCDRPTL-UHFFFAOYSA-N
Smiles:C1(C=O)=CC=NC=C1
-
![图谱](https://www.chemicalbook.com/Spectrum/872-85-5_MS.gif)
Mass
MS-NW-4713
isonicotinaldehyde
C6H5NO (Mass of molecular ion: 107)
Source Temperature: 260 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
26.0 4.7
27.0 2.0
28.0 3.7
29.0 5.2
37.0 2.4
38.0 2.7
39.0 4.2
49.0 3.6
50.0 20.8
51.0 49.6
52.0 33.5
53.0 4.4
63.0 1.0
75.0 1.5
76.0 1.5
77.0 1.0
78.0 48.1
79.0 7.4
93.0 1.3
106.0 33.9
107.0 100.0
108.0 7.0
parameter in DMSO-d6
90 MHz in CDCl3
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![图谱](https://www.chemicalbook.com/Spectrum/872-85-5_1HNMR.gif)
1H NMR |
300 MHz |
C6 H5 N O
|
30 % in DMSO
|
isonicotinaldehyde
|
![ChemicalStructure](Spectrum/872-85-5_1HNMR_2_0.jpg) |
Parameter ppm Hz
D(A) 9.06
D(B) 7.96
J(A,A') 0.4
J(A,B) 5.2
J(A,B') 1.0
J(A',B) 1.0
J(A',B') 5.2
J(B,B') 1.6
D(C) 10.33
BRUEGEL,W. Z.ELEKTROCHEM.(BER.BUNSENGES.PHYS.CHEM.)
66, 159 (1962)
|
Hz ppm Int.
3098.99 10.330 1000
2721.11 9.070 648
2719.50 9.065 395
2716.55 9.055 396
2714.96 9.050 675
2391.07 7.970 677
2389.48 7.965 396
2386.51 7.955 391
2384.91 7.950 648
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![图谱](https://www.chemicalbook.com/Spectrum/872-85-5_1HNMR_2.jpg)
1H NMR |
89.56 MHz |
C6 H5 N O
|
0.04 ml : 0.5 ml CDCl3
|
isonicotinaldehyde
|
![ChemicalStructure](Spectrum/872-85-5_1HNMR_2_0.jpg) |
Assign. Shift(ppm)
A 10.11
B 8.899
C 7.724
|
Hz ppm Int.
905.20 10.108 1000
800.17 8.935 588
798.56 8.917 347
795.85 8.887 369
794.24 8.869 659
694.70 7.757 996
693.02 7.739 570
690.38 7.709 504
688.77 7.691 938
PHOTOLYSIS, IN 2-PROPANOL/ACETONE