三癸酸甘油酯(621-71-6)紅外圖譜(IR3)
InChI:InChI=1S/C33H62O6/c1-4-7-10-13-16-19-22-25-31(34)37-28-30(39-33(36)27-24-21-18-15-12-9-6-3)29-38-32(35)26-23-20-17-14-11-8-5-2/h30H,4-29H2,1-3H3
InChIKey: LADGBHLMCUINGV-UHFFFAOYSA-N
Smiles:C(OC(=O)CCCCCCCCC)C(OC(=O)CCCCCCCCC)COC(=O)CCCCCCCCC
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Mass
MS-NW-0516
tricaprin
C33H62O6 (Mass of molecular ion: 554)
Source Temperature: 210 °C
Sample Temperature: 150 °C
Direct, 75 eV
18.0 2.8
27.0 6.2
28.0 2.4
29.0 11.4
30.0 2.9
39.0 3.5
41.0 20.4
42.0 5.3
43.0 39.9
44.0 1.4
45.0 1.3
53.0 1.0
54.0 2.2
55.0 17.2
56.0 6.2
57.0 34.2
58.0 1.8
60.0 13.7
61.0 3.3
67.0 4.0
68.0 2.7
69.0 13.0
70.0 4.7
71.0 34.4
72.0 2.1
73.0 12.1
74.0 2.6
79.0 1.0
81.0 6.0
82.0 2.6
83.0 7.2
84.0 10.4
85.0 16.7
86.0 1.3
87.0 3.0
95.0 5.7
96.0 1.4
97.0 4.7
98.0 12.7
99.0 2.3
100.0 2.0
101.0 1.6
109.0 1.1
110.0 2.0
111.0 2.8
112.0 6.1
113.0 2.1
115.0 2.1
116.0 2.4
117.0 1.4
125.0 1.2
126.0 2.2
127.0 1.9
129.0 7.5
135.0 1.2
137.0 1.4
140.0 1.8
143.0 2.0
153.0 1.6
154.0 5.4
155.0 100.0
156.0 11.1
157.0 1.1
158.0 6.1
171.0 5.6
172.0 3.4
173.0 3.8
185.0 1.9
186.0 1.0
196.0 1.8
201.0 1.5
210.0 1.0
213.0 1.5
215.0 2.2
227.0 9.5
228.0 5.1
229.0 22.6
230.0 3.3
247.0 1.6
257.0 1.4
270.0 15.4
271.0 7.9
272.0 1.2
283.0 16.3
284.0 3.2
289.0 1.1
297.0 1.9
308.0 1.0
325.0 2.2
326.0 1.0
339.0 6.8
340.0 2.8
353.0 1.7
354.0 1.6
355.0 1.0
369.0 11.3
370.0 2.8
381.0 2.0
382.0 19.8
383.0 46.2
384.0 11.7
385.0 1.8
401.0 2.5
424.0 1.4
442.0 1.9