4-膽甾烯-3-酮(601-57-0)紅外圖譜(IR2)
InChI:InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey: NYOXRYYXRWJDKP-GYKMGIIDSA-N
Smiles:C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H]([C@H](C)CCCC(C)C)CC3)CC2
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Mass
MS-IW-7347
4-cholesten-3-one
C27H44O (Mass of molecular ion: 384)
Source Temperature: 180 °C
Sample Temperature: 190 °C
Direct, 75 eV
18.0 4.8
27.0 1.6
28.0 2.1
29.0 4.4
39.0 2.0
41.0 14.1
42.0 1.6
43.0 16.8
53.0 2.7
55.0 20.1
56.0 2.7
57.0 12.6
65.0 1.3
67.0 10.8
68.0 2.3
69.0 12.6
70.0 1.5
71.0 6.6
77.0 4.8
78.0 1.3
79.0 12.0
80.0 2.3
81.0 16.4
82.0 2.9
83.0 7.7
85.0 1.8
91.0 11.6
92.0 2.4
93.0 13.5
94.0 5.8
95.0 21.1
96.0 3.3
97.0 6.5
105.0 11.9
106.0 5.3
107.0 16.6
108.0 6.5
109.0 15.2
110.0 2.7
111.0 5.4
115.0 1.5
117.0 3.6
118.0 1.8
119.0 9.9
120.0 6.6
121.0 15.3
122.0 10.4
123.0 14.3
124.0 100.0
125.0 11.1
128.0 1.2
129.0 2.2
130.0 1.1
131.0 6.4
132.0 2.4
133.0 11.4
134.0 9.1
135.0 19.5
136.0 7.0
137.0 9.9
138.0 3.1
141.0 1.1
142.0 1.1
143.0 2.9
144.0 1.5
145.0 6.3
146.0 3.4
147.0 19.2
148.0 12.5
149.0 17.0
150.0 3.0
151.0 2.0
155.0 1.4
156.0 1.3
157.0 3.1
158.0 1.7
159.0 6.3
160.0 2.9
161.0 6.7
162.0 3.4
163.0 5.4
164.0 1.1
165.0 2.1
169.0 1.2
170.0 1.1
171.0 2.7
172.0 1.3
173.0 5.3
174.0 4.2
175.0 5.7
176.0 2.9
177.0 3.5
179.0 1.5
183.0 1.3
184.0 1.0
185.0 2.6
186.0 1.4
187.0 7.6
188.0 2.8
189.0 4.0
190.0 1.2
191.0 2.1
193.0 2.3
197.0 1.7
199.0 1.7
200.0 1.2
201.0 4.2
202.0 3.5
203.0 2.8
205.0 1.8
206.0 2.5
207.0 1.2
211.0 5.2
212.0 2.4
213.0 2.8
214.0 1.1
215.0 3.2
216.0 1.9
217.0 1.9
219.0 1.7
225.0 1.2
226.0 1.8
227.0 1.8
228.0 1.6
229.0 43.0
230.0 12.7
231.0 4.5
232.0 1.3
233.0 1.2
243.0 3.4
244.0 5.2
245.0 7.3
246.0 2.2
247.0 7.2
248.0 2.1
253.0 3.8
255.0 1.3
257.0 3.3
258.0 1.6
259.0 1.5
260.0 22.4
261.0 32.6
262.0 6.7
263.0 1.3
269.0 2.1
270.0 1.0
271.0 10.9
272.0 2.9
273.0 1.3
274.0 1.2
275.0 1.6
286.0 2.8
298.0 1.5
299.0 8.9
300.0 3.8
301.0 1.1
302.0 1.2
327.0 5.8
328.0 1.8
340.0 1.2
341.0 1.2
342.0 21.3
343.0 6.0
351.0 1.8
356.0 1.4
364.0 1.1
366.0 4.5
367.0 2.5
368.0 2.4
369.0 9.2
370.0 2.7
382.0 1.6
384.0 61.2
385.0 19.6
386.0 3.8