三硬脂酸甘油酯(555-43-1)核磁圖(1HNMR)
分子式:C57H110O6
分子量: 891.48
InChI:InChI=1S/C57H110O6/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/h54H,4-53H2,1-3H3
InChIKey: DCXXMTOCNZCJGO-UHFFFAOYSA-N
Smiles:C(OC(=O)CCCCCCCCCCCCCCCCC)C(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC
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Mass
MS-NW-0609
1,2,3-propanetriyl tristearate
C57H110O6 (Mass of molecular ion: 890)
Source Temperature: 250 °C
Sample Temperature: 270 °C
Direct, 75 eV
17.0 1.4
18.0 7.2
26.0 2.0
27.0 13.0
28.0 5.8
29.0 26.1
39.0 9.2
40.0 2.2
41.0 54.9
42.0 12.8
43.0 91.7
44.0 4.1
45.0 2.0
53.0 3.4
54.0 8.1
55.0 62.1
56.0 18.8
57.0 100.0
58.0 5.4
59.0 2.5
60.0 31.7
61.0 10.6
66.0 1.1
67.0 15.4
68.0 10.6
69.0 42.9
70.0 14.7
71.0 55.3
72.0 3.4
73.0 36.2
74.0 4.5
79.0 3.9
80.0 2.7
81.0 16.5
82.0 11.7
83.0 37.6
84.0 24.1
85.0 33.8
86.0 2.7
87.0 7.5
88.0 1.1
91.0 1.3
93.0 3.2
94.0 2.3
95.0 18.1
96.0 9.2
97.0 29.8
98.0 62.4
99.0 12.1
100.0 7.2
101.0 4.9
102.0 1.4
105.0 1.1
107.0 2.5
108.0 1.4
109.0 10.1
110.0 4.2
111.0 18.1
112.0 15.6
113.0 8.4
114.0 1.5
115.0 5.3
116.0 5.0
117.0 1.9
121.0 3.3
122.0 1.1
123.0 5.4
124.0 2.4
125.0 6.3
126.0 3.2
127.0 3.7
129.0 16.7
130.0 2.2
135.0 2.5
137.0 2.9
138.0 1.7
139.0 2.9
140.0 1.9
141.0 2.4
143.0 2.8
149.0 1.3
151.0 1.4
152.0 1.1
153.0 1.9
154.0 1.7
155.0 2.0
157.0 1.5
158.0 6.6
167.0 1.3
168.0 1.0
169.0 1.9
171.0 12.1
172.0 2.0
181.0 1.0
183.0 1.8
185.0 7.7
186.0 1.2
199.0 2.5
213.0 2.6
222.0 1.3
225.0 1.0
227.0 5.5
228.0 1.1
239.0 1.5
241.0 6.6
242.0 1.3
255.0 1.8
264.0 1.0
265.0 1.5
266.0 3.0
267.0 26.3
268.0 5.5
269.0 1.7
281.0 1.0
283.0 1.7
284.0 7.9
285.0 2.0
297.0 1.4
308.0 1.0
309.0 1.8
311.0 1.0
322.0 1.7
323.0 1.1
325.0 2.3
339.0 2.9
340.0 1.6
341.0 13.0
342.0 3.1
367.0 1.8
382.0 6.5
383.0 3.7
395.0 42.8
396.0 11.5
397.0 2.1
409.0 2.9
410.0 1.0
423.0 1.3
437.0 5.1
438.0 1.8
451.0 12.6
452.0 4.2
465.0 1.8
479.0 1.5
493.0 2.1
507.0 2.8
508.0 1.3
521.0 1.8
535.0 1.3
549.0 1.3
563.0 6.1
564.0 2.7
577.0 2.2
578.0 1.4
579.0 1.1
605.0 2.0
606.0 10.0
607.0 15.7
608.0 6.1
609.0 1.5