三花生精(620-64-4)核磁圖(13CNMR)
分子式:C63H122O6
分子量: 975.64
InChI:InChI=1S/C63H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h60H,4-59H2,1-3H3
InChIKey: KCVWRCXEUJUXIG-UHFFFAOYSA-N
Smiles:C(OC(=O)CCCCCCCCCCCCCCCCCCC)C(OC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC
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Mass
MS-IW-5078
1,2,3-propanetriyl triicosanoate
C63H122O6 (Mass of molecular ion: 974)
Source Temperature: 190 °C
Sample Temperature: 250 °C
Direct, 75 eV
17.0 1.6
18.0 9.8
26.0 6.1
27.0 12.4
28.0 25.6
29.0 17.3
38.0 1.5
39.0 12.2
40.0 3.9
41.0 52.0
42.0 15.7
43.0 73.9
44.0 4.6
45.0 1.7
51.0 1.3
52.0 1.1
53.0 4.6
54.0 10.8
55.0 83.3
56.0 27.5
57.0 88.8
58.0 6.4
59.0 2.3
60.0 26.7
61.0 10.9
65.0 1.8
66.0 2.4
67.0 21.7
68.0 14.9
69.0 53.1
70.0 23.4
71.0 60.5
72.0 4.1
73.0 36.8
74.0 3.9
77.0 2.2
78.0 2.0
79.0 7.1
80.0 5.8
81.0 24.0
82.0 18.7
83.0 54.4
84.0 34.7
85.0 40.8
86.0 3.4
87.0 9.4
88.0 1.4
91.0 3.9
92.0 2.1
93.0 5.0
94.0 4.2
95.0 21.9
96.0 15.1
97.0 47.2
98.0 100.0
99.0 18.1
100.0 7.0
101.0 6.2
102.0 2.1
105.0 1.6
107.0 3.7
108.0 2.1
109.0 13.0
110.0 6.4
111.0 29.2
112.0 26.1
113.0 13.3
114.0 1.8
115.0 7.5
116.0 6.2
117.0 2.5
119.0 1.0
121.0 4.8
122.0 1.5
123.0 7.4
124.0 3.9
125.0 11.5
126.0 4.9
127.0 5.4
128.0 1.2
129.0 22.7
130.0 3.0
135.0 3.8
136.0 1.2
137.0 4.3
138.0 2.7
139.0 5.2
140.0 2.7
141.0 3.3
143.0 3.6
144.0 1.1
149.0 2.0
151.0 1.8
152.0 1.8
153.0 2.9
154.0 2.5
155.0 3.0
157.0 3.8
158.0 5.5
159.0 1.1
163.0 1.1
165.0 1.0
166.0 1.3
167.0 1.8
168.0 1.5
169.0 2.9
171.0 11.8
172.0 2.2
181.0 1.4
182.0 1.1
183.0 2.3
185.0 7.9
186.0 1.3
194.0 1.0
195.0 1.0
196.0 1.0
197.0 1.4
199.0 2.5
211.0 1.1
213.0 6.2
214.0 1.3
224.0 1.1
227.0 6.7
228.0 1.1
241.0 2.7
250.0 1.3
255.0 2.1
269.0 7.2
270.0 1.5
283.0 2.1
293.0 1.2
294.0 2.8
295.0 20.5
296.0 4.7
297.0 1.0
311.0 1.0
312.0 14.1
313.0 3.4
353.0 2.4
367.0 1.6
368.0 1.1
369.0 9.4
370.0 2.5
410.0 3.3
411.0 2.2
423.0 14.0
424.0 4.2
437.0 1.0
465.0 1.4
479.0 2.5
480.0 1.5
619.0 1.1
663.0 4.1