辛可尼丁(485-71-2)Raman光譜
分子式:C19H22N2O
分子量: 294.39
InChI:InChI=1/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14-,18-,19+/s3
InChIKey: KMPWYEUPVWOPIM-BLBXHXOWNA-N
Smiles:[C@@]1([H])(C[C@]2([H])CCN1C[C@@H]2C=C)[C@H](O)C1=CC=NC2C=CC=CC1=2 |&1:0,3,9,12,r|
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Mass
MS-NW-7035
cinchonidine
C19H22N2O (Mass of molecular ion: 294)
Source Temperature: 200 °C
Sample Temperature: 170 °C
Direct, 75 eV
27.0 3.7
28.0 2.8
29.0 2.5
39.0 5.7
41.0 10.9
42.0 10.9
43.0 1.3
44.0 1.3
50.0 1.1
51.0 2.9
52.0 1.6
53.0 5.9
54.0 3.6
55.0 6.2
56.0 2.4
63.0 1.3
65.0 2.1
66.0 1.2
67.0 3.8
68.0 2.3
69.0 1.5
74.0 1.0
75.0 2.9
76.0 1.5
77.0 8.3
78.0 1.6
79.0 6.0
80.0 3.1
81.0 9.6
82.0 3.8
91.0 1.7
93.0 1.5
94.0 2.6
95.0 3.3
101.0 4.2
102.0 3.2
103.0 4.4
105.0 1.0
106.0 1.0
107.0 1.0
108.0 1.8
115.0 2.3
127.0 1.2
128.0 5.3
129.0 4.3
130.0 15.2
131.0 1.9
134.0 1.0
136.0 100.0
137.0 10.8
138.0 1.3
142.0 2.4
143.0 2.9
154.0 2.2
156.0 1.9
158.0 3.6
159.0 6.0
160.0 1.0
166.0 1.5
167.0 2.5
168.0 2.0
169.0 1.3
170.0 1.3
183.0 1.1
184.0 1.0