托品醇(120-29-6)核磁圖(13CNMR)
InChI:InChI=1/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8+
InChIKey: CYHOMWAPJJPNMW-JIGDXULJNA-N
Smiles:[C@@]12([H])CC[C@@]([H])(C[C@@H](O)C1)N2C |&1:0,4,7,r|
-
Mass
MS-NW-4801
tropine
C8H15NO (Mass of molecular ion: 141)
Source Temperature: 260 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
15.0 6.7
17.0 5.1
18.0 24.4
26.0 1.2
27.0 8.4
28.0 5.2
29.0 4.3
30.0 4.3
31.0 1.2
39.0 8.2
40.0 1.5
41.0 11.9
42.0 49.1
43.0 5.3
44.0 9.2
51.0 1.4
52.0 1.0
53.0 3.1
54.0 5.3
55.0 17.8
56.0 10.8
57.0 26.3
58.0 4.5
65.0 1.3
66.0 1.1
67.0 14.6
68.0 11.0
69.0 3.3
70.0 11.3
71.0 1.4
77.0 1.1
80.0 2.4
81.0 4.6
82.0 100.0
83.0 78.6
84.0 9.6
86.0 1.4
93.0 1.1
94.0 8.2
95.0 2.6
96.0 81.2
97.0 32.6
98.0 3.8
112.0 13.7
113.0 23.8
114.0 1.7
122.0 1.4
124.0 43.0
125.0 4.0
126.0 1.9
140.0 1.5
141.0 33.8
142.0 3.2
90 MHz in CDCl3
400 MHz in CDCl3
-
| 1H NMR |
89.56 MHz |
| C8 H15 N O
|
0.043 g : 0.5 ml CDCl3
|
| tropine
|
 |
Assign. Shift(ppm)
A *1 1.65
B *1 1.93 to 2.23
C 2.252
D 2.59
E 3.070
F 4.012
|
Hz ppm Int.
201.69 2.253 1000
183.56 2.050 245
181.06 2.022 232
178.13 1.989 95
177.75 1.985 97
177.06 1.977 97
154.25 1.723 84
-
| 1H NMR |
399.65 MHz |
| C8 H15 N O
|
0.037 g : 0.5 ml CDCl3
|
| tropine
|
|
Assign. Shift(ppm)
A 4.000
B 3.062
C 2.77
D 2.246
E 2.09
F 2.08
G 1.98
J 1.658
|
Hz ppm Int.
1597.53 3.998 55
1592.41 3.985 30
1227.42 3.072 73
1223.51 3.062 90
1220.83 3.055 79
1108.52 2.774 118
897.58 2.246 1000
848.02 2.122 37
843.26 2.110 61
842.41 2.108 62
839.36 2.101 51
834.84 2.089 121
829.47 2.076 103
827.76 2.072 155
826.90 2.070 154
824.95 2.065 79
822.14 2.058 63
795.65 1.991 75
790.65 1.979 65
787.60 1.971 48
786.50 1.968 56
783.20 1.960 39
669.56 1.676 99
668.70 1.674 105
655.64 1.641 87
654.66 1.639 87
653.93 1.637 83