溴代甲基阿托品(2870-71-5)Raman光譜
分子式:C18H26BrNO3
分子量: 384.31
InChI:InChI=1/C18H26NO3.BrH/c1-19(2)14-8-9-15(19)11-16(10-14)22-18(21)17(12-20)13-6-4-3-5-7-13;/h3-7,14-17,20H,8-12H2,1-2H3;1H/q+1;/p-1/t14-,15+,16+,17?;
InChIKey: XMLNCADGRIEXPK-KUMOIWDRNA-M
Smiles:[C@@]12([H])CC[C@@]([H])(C[C@@H](OC(=O)C(CO)C3C=CC=CC=3)C1)[N+]2(C)C.[Br-] |&1:0,4,7,r|
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Mass
MS-NW-2311
atropine methyl bromide
C17H23NO3 CH3Br (Mass of molecular ion: 289)
Source Temperature: 230 °C
Sample Temperature: 210 °C
Direct, 75 eV
15.0 14.2
17.0 1.9
18.0 9.7
26.0 1.0
27.0 4.0
28.0 4.7
29.0 1.1
30.0 1.5
38.0 1.2
39.0 7.6
40.0 1.5
41.0 7.1
42.0 18.3
43.0 1.7
44.0 3.9
50.0 2.1
51.0 4.6
52.0 2.0
53.0 3.4
54.0 2.2
55.0 5.7
56.0 3.0
57.0 5.0
58.0 2.8
62.0 1.2
63.0 3.0
64.0 1.2
65.0 3.8
66.0 1.1
67.0 12.7
68.0 7.5
69.0 1.2
70.0 2.1
76.0 1.3
77.0 5.4
78.0 3.0
79.0 3.3
80.0 3.9
81.0 6.0
82.0 39.7
83.0 20.9
84.0 2.2
89.0 6.3
90.0 8.1
91.0 14.4
92.0 2.4
93.0 3.3
94.0 37.0
95.0 12.4
96.0 16.0
97.0 4.3
98.0 1.3
102.0 2.9
103.0 6.4
104.0 4.9
105.0 1.6
107.0 1.0
108.0 5.4
109.0 1.1
110.0 1.1
115.0 3.1
118.0 16.9
119.0 1.5
120.0 1.3
121.0 2.6
122.0 4.7
123.0 13.5
124.0 100.0
125.0 9.6
136.0 1.0
140.0 7.0
141.0 1.3
148.0 1.1
150.0 1.2
178.0 1.0
191.0 1.9
192.0 1.1
193.0 1.6
194.0 1.0
202.0 1.3
203.0 1.0
204.0 1.4
205.0 1.1
206.0 1.0
220.0 1.5
259.0 6.2
260.0 1.2
272.0 2.0