3-吡啶甲醇(100-55-0)Raman光谱
InChI:InChI=1S/C6H7NO/c8-5-6-2-1-3-7-4-6/h1-4,8H,5H2
InChIKey: MVQVNTPHUGQQHK-UHFFFAOYSA-N
Smiles:C1=NC=CC=C1CO
-
Mass
MS-NW-1119
3-pyridinemethanol
C6H7NO (Mass of molecular ion: 109)
Source Temperature: 240 °C
Sample Temperature: 170 °C
Reservoir, 75 eV
18.0 2.7
26.0 4.7
27.0 13.6
28.0 5.6
29.0 7.4
31.0 8.2
37.0 3.5
38.0 7.1
39.0 23.5
40.0 2.2
41.0 3.2
49.0 2.4
50.0 12.1
51.0 23.9
52.0 16.0
53.0 34.4
54.0 7.5
55.0 4.9
61.0 1.4
62.0 2.6
63.0 7.7
64.0 9.9
65.0 14.6
66.0 1.7
75.0 1.0
76.0 1.1
78.0 15.6
79.0 9.4
80.0 88.3
81.0 14.7
82.0 1.8
91.0 20.1
92.0 9.7
93.0 2.0
106.0 3.5
107.0 2.9
108.0 94.9
109.0 100.0
110.0 6.9
90 MHz in CDCl3
parameter in DMSO-d6
-
| 1H NMR |
89.56 MHz |
| C6 H7 N O
|
0.04 ml : 0.5 ml CDCl3
|
| 3-pyridinemethanol
|
 |
Assign. Shift(ppm)
A 8.439
B 8.360
C 7.708
D 7.259
E 5.531
F 4.67
|
Hz ppm Int.
757.19 8.455 248
756.44 8.447 252
755.63 8.438 231
755.00 8.431 281
754.25 8.422 250
751.88 8.396 194
750.19 8.377 198
747.00 8.341 199
745.31 8.322 205
696.94 7.782 83
695.19 7.763 125
694.69 7.757 122
693.00 7.738 83
689.06 7.694 122
687.44 7.676 180
686.81 7.669 173
686.19 7.662 107
685.13 7.650 110
655.75 7.322 236
654.94 7.313 164
650.88 7.268 163
650.06 7.259 147
648.00 7.236 126
647.13 7.226 115
643.06 7.181 116
642.31 7.172 103
495.38 5.532 351
418.56 4.674 1000
-
| 1H NMR |
300 MHz |
| C6 H7 N O
|
30 % in DMSO
|
| 3-pyridinemethanol
|
|
Parameter ppm Hz
D(A) 8.70
D(B) 7.90
D(C) 7.42
D(D) 8.55
J(A,B) 2.0
J(A,C) 1.0
J(A,D) 0.0
J(B,C) 7.1
J(B,D) 1.4
J(C,D) 4.4
D(E) 4.69
D(F) 5.58
BRUEGEL,W. Z.ELEKTROCHEM.(BER.BUNSENGES.PHYS.CHEM.)
66, 159 (1962)
|
Hz ppm Int.
2611.45 8.705 162
2610.51 8.702 182
2609.53 8.698 184
2608.59 8.695 165
2567.91 8.560 140
2566.56 8.555 144
2563.51 8.545 146
2562.16 8.541 145
2375.34 7.918 73
2373.80 7.913 98
2371.95 7.906 73
2368.23 7.894 82
2366.69 7.889 109
2364.88 7.883 78
2232.09 7.440 83
2231.23 7.437 84
2227.73 7.426 84
2226.79 7.423 86
2225.06 7.417 82
2224.12 7.414 78
2220.62 7.402 74
2219.72 7.399 73
1673.99 5.580 500
1407.01 4.690 1000