三反油酸甘油酯 9C 18:1反(537-39-3)核磁圖(1HNMR)
分子式:C57H104O6
分子量: 885.43
InChI:InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,54H,4-24,31-53H2,1-3H3/b28-25+,29-26+,30-27+
InChIKey: PHYFQTYBJUILEZ-WUOFIQDXSA-N
Smiles:C(OC(=O)CCCCCCC/C=C/CCCCCCCC)C(OC(=O)CCCCCCC/C=C/CCCCCCCC)COC(=O)CCCCCCC/C=C/CCCCCCCC
-
Mass
MS-IW-5067
1,2,3-propanetriyl tris(trans-9-octadecenoate)
C57H104O6 (Mass of molecular ion: 884)
Source Temperature: 190 °C
Sample Temperature: 230 °C
Direct, 75 eV
17.0 4.9
18.0 25.8
26.0 2.8
27.0 11.2
28.0 10.0
29.0 14.0
38.0 1.2
39.0 13.8
40.0 3.4
41.0 51.5
42.0 11.0
43.0 40.7
44.0 6.0
45.0 1.9
50.0 1.1
51.0 1.8
52.0 1.1
53.0 7.6
54.0 24.3
55.0 100.0
56.0 25.7
57.0 39.8
58.0 2.4
59.0 1.1
60.0 3.3
65.0 2.8
66.0 3.7
67.0 56.0
68.0 26.2
69.0 77.4
70.0 23.5
71.0 17.9
72.0 1.1
73.0 6.5
77.0 4.1
78.0 3.4
79.0 16.2
80.0 11.0
81.0 56.4
82.0 34.2
83.0 70.3
84.0 26.8
85.0 11.5
87.0 2.8
91.0 9.1
92.0 3.8
93.0 12.0
94.0 9.7
95.0 44.8
96.0 29.8
97.0 51.7
98.0 61.9
99.0 8.6
100.0 3.3
101.0 4.5
104.0 1.2
105.0 5.1
106.0 2.1
107.0 8.9
108.0 7.2
109.0 24.3
110.0 16.9
111.0 27.7
112.0 15.0
113.0 5.0
114.0 4.9
115.0 4.2
116.0 3.1
117.0 3.8
118.0 1.1
119.0 5.9
120.0 2.5
121.0 12.8
122.0 5.0
123.0 15.7
124.0 10.2
125.0 10.8
126.0 5.4
127.0 4.4
128.0 2.2
129.0 8.5
130.0 1.6
131.0 2.2
132.0 1.1
133.0 6.1
134.0 4.5
135.0 10.9
136.0 3.4
137.0 11.5
138.0 7.6
139.0 5.6
140.0 2.1
141.0 2.8
142.0 1.0
143.0 2.1
145.0 1.4
147.0 4.8
148.0 3.3
149.0 5.8
150.0 2.4
151.0 10.7
152.0 7.0
153.0 4.0
154.0 1.7
155.0 2.9
157.0 1.2
158.0 3.3
159.0 1.1
161.0 2.7
162.0 1.1
163.0 3.0
164.0 2.1
165.0 6.6
166.0 4.5
167.0 2.8
168.0 1.1
169.0 2.5
171.0 5.6
172.0 1.5
175.0 1.6
177.0 1.8
178.0 1.4
179.0 3.4
180.0 2.9
181.0 1.9
183.0 1.7
185.0 3.0
189.0 1.3
191.0 1.3
193.0 2.1
194.0 1.5
195.0 1.1
199.0 1.0
207.0 2.8
208.0 1.4
209.0 1.0
213.0 1.1
220.0 4.4
221.0 3.5
222.0 2.5
227.0 2.4
235.0 1.4
236.0 1.6
240.0 1.0
241.0 1.2
245.0 1.2
246.0 4.4
247.0 3.4
262.0 3.6
263.0 3.0
264.0 17.0
265.0 13.3
266.0 2.6
282.0 1.4
323.0 1.2
337.0 1.6
338.0 4.0
339.0 9.4
340.0 2.1
393.0 8.4
394.0 2.3
449.0 4.1
450.0 1.3
603.0 7.4