3-羥基吡啶(109-00-2)Raman光譜
InChI:InChI=1S/C5H5NO/c7-5-2-1-3-6-4-5/h1-4,7H
InChIKey: GRFNBEZIAWKNCO-UHFFFAOYSA-N
Smiles:C1=NC=CC=C1O
-
Mass
MS-NW-8658
3-pyridinol
C5H5NO (Mass of molecular ion: 95)
Source Temperature: 260 °C
Sample Temperature: 140 °C
Reservoir, 75 eV
18.0 1.3
26.0 1.5
27.0 2.0
28.0 7.3
29.0 1.8
37.0 4.2
38.0 8.2
39.0 25.3
40.0 15.1
41.0 13.2
42.0 5.8
49.0 1.0
50.0 2.8
51.0 3.0
52.0 1.6
53.0 1.6
55.0 5.3
66.0 5.8
67.0 12.7
68.0 12.9
69.0 1.2
94.0 3.7
95.0 100.0
96.0 6.1
400 MHz in CDCl3
parameter in DMSO-d6
-
| 1H NMR |
399.65 MHz |
| C5 H5 N O
|
saturated in CDCl3
|
| 3-pyridinol
|
 |
Assign. Shift(ppm)
A 8.284
B 8.093
C 7.327
D 7.29
THE OH-PEAK IS NOT OBSERVED.
|
Hz ppm Int.
3315.31 8.296 102
3312.13 8.288 905
3310.18 8.283 964
3309.81 8.282 1000
3306.64 8.274 189
3305.91 8.273 143
3304.32 8.269 108
3303.96 8.268 85
3239.99 8.108 119
3236.21 8.098 743
3233.03 8.090 775
3231.93 8.087 779
3229.61 8.082 202
3228.76 8.079 161
3228.27 8.078 141
3227.54 8.076 103
3226.93 8.075 96
3226.56 8.074 94
3226.20 8.073 91
2937.62 7.351 87
2936.28 7.348 273
2934.81 7.344 351
2933.84 7.342 311
2933.47 7.341 309
2932.01 7.337 324
2930.54 7.333 138
2927.86 7.327 679
2926.51 7.323 766
2925.29 7.320 838
2923.71 7.316 724
2921.75 7.311 199
2920.53 7.308 161
2919.68 7.306 160
2917.24 7.300 913
2914.92 7.294 231
2912.60 7.288 892
2909.06 7.280 432
2906.98 7.274 165
2906.62 7.273 162
2900.63 7.258 146
2899.90 7.257 140
2899.41 7.255 110
2899.05 7.254 93
-
| 1H NMR |
300 MHz |
| C5 H5 N O
|
1 M in DMSO-d6
|
| 3-pyridinol
|
|
Parameter ppm Hz
D(A) 8.363
D(B) 7.315
D(C) 7.258
D(D) 8.146
J(A,B) 2.80
J(A,C) 0.70
J(A,D) -0.15
J(B,C) 8.35
J(B,D) 1.45
J(C,D) 4.65
D(E) 9.905
VOEGELI,U. & VON PHILIPSBORN,W. ORG.MAGN.RESON. 5, 551 (1973)
|
Hz ppm Int.
2971.50 9.905 1000
2510.56 8.369 332
2509.95 8.366 337
2507.90 8.360 348
2507.29 8.358 339
2446.88 8.156 265
2445.26 8.151 275
2442.41 8.141 277
2440.79 8.136 277
2201.79 7.339 82
2200.19 7.334 100
2199.17 7.331 88
2197.50 7.325 86
2193.43 7.311 212
2191.81 7.306 233
2190.82 7.303 244
2189.14 7.297 204
2183.15 7.277 248
2182.49 7.275 252
2178.66 7.262 235
2178.05 7.260 237
2174.82 7.249 100
2174.16 7.247 94
2170.33 7.234 101
2169.69 7.232 97