吡咯他尼杂质A(57-64-7)红外图谱(IR1)
分子式:C22H27N3O5
分子量: 413.47
InChI:InChI=1/C15H21N3O2.C7H6O3/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2;8-6-4-2-1-3-5(6)7(9)10/h5-6,9,13H,7-8H2,1-4H3,(H,16,19);1-4,8H,(H,9,10)/t13-,15+;/s3
InChIKey: HZOTZTANVBDFOF-DPKVYHSMNA-N
Smiles:C12C=C(C=CC=1N(C)[C@@]1([H])N(CC[C@@]21C)C)OC(=O)NC.C1(C(=O)O)=CC=CC=C1O |&1:8,13,r|
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![图谱](https://www.chemicalbook.com/Spectrum/57-64-7_MS.gif)
Mass
MS-NW-2093
eserine salicylate
C15H21N3O2 C7H6O3 (Mass of molecular ion: 275)
Source Temperature: 210 °C
Sample Temperature: 140 °C
Direct, 75 eV
15.0 4.4
18.0 4.5
27.0 3.6
28.0 7.7
29.0 1.3
37.0 1.1
38.0 2.5
39.0 7.5
41.0 1.4
42.0 7.9
44.0 5.4
46.0 1.7
50.0 1.3
51.0 1.7
53.0 2.0
55.0 2.5
56.0 5.4
57.0 14.4
58.0 2.6
62.0 1.4
63.0 5.4
64.0 9.1
65.0 5.9
66.0 1.2
73.0 3.1
77.0 1.8
81.0 1.5
91.0 1.9
92.0 28.8
93.0 3.7
94.0 2.0
96.0 4.4
97.0 1.0
101.0 1.0
101.5 2.7
109.0 1.5
117.0 1.7
120.0 43.1
121.0 5.1
122.0 1.0
130.0 1.3
131.0 2.3
132.0 3.6
133.0 1.2
138.0 26.0
139.0 2.1
144.0 1.5
145.0 2.2
146.0 6.3
147.0 2.8
148.0 1.1
158.0 1.3
159.0 3.0
160.0 43.2
161.0 42.8
162.0 11.2
163.0 1.3
172.0 1.0
173.0 2.1
174.0 50.2
175.0 11.8
176.0 2.9
177.0 1.0
186.0 4.2
187.0 2.6
188.0 6.5
189.0 1.8
190.0 1.4
201.0 1.3
202.0 1.2
203.0 8.2
204.0 1.7
217.0 7.2
218.0 100.0
219.0 14.8
220.0 1.3
275.0 25.1
276.0 4.5