吡啶-2-甲醛(1121-60-4)核磁图(1HNMR)
InChI:InChI=1S/C6H5NO/c8-5-6-3-1-2-4-7-6/h1-5H
InChIKey: CSDSSGBPEUDDEE-UHFFFAOYSA-N
Smiles:C1(C=O)=NC=CC=C1
-
Mass
MS-NW-0997
2-pyridinecarbaldehyde
C6H5NO (Mass of molecular ion: 107)
Source Temperature: 250 °C
Sample Temperature: 130 °C
Reservoir, 75 eV
18.0 1.3
26.0 4.8
27.0 5.1
28.0 2.0
29.0 3.9
37.0 2.0
38.0 2.6
39.0 5.1
49.0 2.6
50.0 12.4
51.0 30.8
52.0 54.9
53.0 6.4
75.0 1.8
76.0 2.1
77.0 1.0
78.0 34.7
79.0 100.0
80.0 5.9
107.0 20.1
108.0 1.5
90 MHz in CDCl3
parameter in DMSO-d6
-
| 1H NMR |
89.56 MHz |
| C6 H5 N O
|
0.02 ml : 0.5 ml CDCl3
|
| 2-pyridinecarbaldehyde
|
 |
Assign. Shift(ppm)
A 10.09
B 8.80
C 7.96
D 7.88
E 7.541
|
Hz ppm Int.
904.00 10.094 1000
903.31 10.087 998
790.88 8.831 188
789.38 8.814 136
786.19 8.779 167
785.88 8.775 157
713.63 7.969 348
712.56 7.957 404
711.81 7.948 281
711.25 7.942 588
710.25 7.931 438
706.81 7.893 227
706.13 7.885 235
705.19 7.874 229
704.50 7.867 217
681.31 7.608 308
678.94 7.581 225
676.56 7.555 289
674.75 7.535 191
674.31 7.530 233
672.38 7.508 174
669.88 7.480 154
667.63 7.455 167
-
| 1H NMR |
300 MHz |
| C6 H5 N O
|
30 % in DMSO
|
| 2-pyridinecarbaldehyde
|
|
Parameter ppm Hz
D(A) 9.03
D(B) 7.88
D(C) 8.17
D(D) 8.31
D(E) 10.24
J(A,B) 4.6
J(A,C) 1.8
J(A,D) 1.0
J(A,E) 0.0
J(B,C) 7.7
J(B,D) 1.3
J(B,E) 0.0
J(C,D) 8.3
J(C,E) 0.0
J(D,E) 0.3
BRUEGEL,W. Z.ELEKTROCHEM.BER.BUNSENGES.PHYS.CHEM.
66, 159 (1962)
|
Hz ppm Int.
3072.01 10.240 1000
2712.67 9.042 179
2711.68 9.039 215
2710.97 9.037 218
2709.95 9.033 194
2708.08 9.027 197
2707.10 9.024 224
2706.40 9.021 221
2705.38 9.018 186
2497.55 8.325 224
2496.53 8.322 151
2490.28 8.301 218
2489.27 8.298 330
2459.63 8.199 165
2457.86 8.193 165
2451.90 8.173 234
2450.16 8.167 239
2443.68 8.146 135
2441.92 8.140 132
2370.61 7.902 173
2369.28 7.898 173
2366.01 7.887 175
2364.68 7.882 179
2362.96 7.877 161
2361.62 7.872 150
2358.36 7.861 145
2357.02 7.857 140