2-吡啶甲醇(586-98-1)核磁圖(1HNMR)
InChI:InChI=1S/C6H7NO/c8-5-6-3-1-2-4-7-6/h1-4,8H,5H2
InChIKey: SHNUBALDGXWUJI-UHFFFAOYSA-N
Smiles:C1(CO)=NC=CC=C1
-
Mass
MS-NW-3076
2-pyridinemethanol
C6H7NO (Mass of molecular ion: 109)
Source Temperature: 280 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
18.0 1.2
26.0 3.7
27.0 8.9
28.0 4.4
29.0 3.9
31.0 5.8
37.0 2.0
38.0 3.5
39.0 8.7
40.0 1.1
41.0 1.0
49.0 1.7
50.0 8.8
51.0 21.4
52.0 29.3
53.0 21.7
54.0 1.8
62.0 1.2
63.0 2.8
64.0 3.1
65.0 4.8
75.0 1.0
76.0 1.3
78.0 32.4
79.0 32.9
80.0 58.3
81.0 4.2
91.0 1.0
92.0 2.0
106.0 2.6
107.0 1.1
108.0 100.0
109.0 54.4
110.0 3.8
400 MHz in CDCl3
90 MHz in CDCl3
parameter in DMSO-d6
-
| 1H NMR |
399.65 MHz |
| C6 H7 N O
|
0.05 ml : 0.5 ml CDCl3
|
| 2-pyridinemethanol
|
 |
Assign. Shift(ppm)
A 8.454
B 7.653
C 7.374
D 7.147
E 5.4
F 4.750
|
Hz ppm Int.
3382.69 8.465 137
3381.84 8.463 163
3380.98 8.460 173
3380.00 8.458 159
3377.81 8.452 145
3376.83 8.450 164
3376.10 8.448 170
3375.12 8.446 155
3067.63 7.676 142
3065.80 7.672 148
3059.81 7.657 247
3057.98 7.652 244
3052.25 7.638 170
3050.42 7.633 166
2951.54 7.386 176
2950.44 7.383 238
2949.46 7.381 183
2944.34 7.368 76
2943.73 7.366 152
2942.75 7.364 207
2941.53 7.361 156
2863.65 7.166 81
2863.04 7.164 147
2862.43 7.163 145
2861.82 7.161 151
2861.21 7.160 93
2858.03 7.152 141
2857.42 7.150 141
2856.81 7.149 146
2856.20 7.147 130
2855.47 7.145 148
2854.86 7.144 137
2854.25 7.142 136
2853.64 7.141 82
2851.20 7.135 69
2850.59 7.133 128
2849.98 7.132 123
2849.37 7.130 127
2848.75 7.129 73
1898.19 4.750 1000
-
| 1H NMR |
89.56 MHz |
| C6 H7 N O
|
0.04 ml : 0.5 ml CDCl3
|
| 2-pyridinemethanol
|
|
Assign. Shift(ppm)
A 8.49
B 7.65
C 7.34
D 7.17
E 4.85
F 4.752
|
Hz ppm Int.
764.25 8.534 102
763.19 8.522 125
762.50 8.514 129
761.63 8.505 111
759.31 8.479 116
758.38 8.468 136
757.63 8.460 135
756.69 8.449 114
695.56 7.767 76
693.75 7.747 77
688.13 7.684 158
686.25 7.663 158
680.38 7.597 172
678.56 7.577 166
659.81 7.368 210
653.31 7.295 96
652.38 7.285 124
651.94 7.280 119
648.06 7.237 124
647.44 7.230 103
646.75 7.222 98
643.19 7.182 112
642.50 7.174 96
641.81 7.167 107
641.31 7.161 100
640.75 7.155 97
640.06 7.147 82
639.38 7.140 79
635.81 7.100 78
635.19 7.093 71
634.50 7.085 68
434.50 4.852 108
425.56 4.752 1000
-
| 1H NMR |
300 MHz |
| C6 H7 N O
|
30 % in DMSO
|
| 2-pyridinemethanol
|
|
Parameter ppm Hz
D(A) 8.65
D(B) 7.40
D(C) 8.05
D(D) 7.75
J(A,B) 4.6
J(A,C) 2.0
J(A,D) 1.2
J(B,C) 7.8
J(B,D) 1.0
J(C,D) 8.0
D(E) 4.81
D(F) 5.60
BRUEGEL,W. Z.ELEKTROCHEM.BER.BUNSENGES.PHYS.CHEM.
66, 159 (1962)
|
Hz ppm Int.
2598.89 8.663 51
2597.67 8.659 64
2596.99 8.657 65
2595.74 8.652 59
2594.31 8.648 59
2593.10 8.644 66
2592.38 8.641 65
2591.20 8.637 54
2424.13 8.080 40
2422.17 8.074 39
2416.27 8.054 86
2414.30 8.048 84
2408.36 8.028 52
2406.39 8.021 50
2329.85 7.766 65
2328.85 7.763 104
2327.81 7.759 65
2321.88 7.740 54
2320.84 7.736 87
2319.84 7.733 55
2226.56 7.422 55
2225.67 7.419 54
2221.98 7.407 55
2221.02 7.403 55
2218.83 7.396 53
2217.87 7.393 51
2214.18 7.381 50
2213.29 7.378 49
1680.01 5.600 1000
1442.98 4.810 667