醋酸氯地孕酮(302-22-7)核磁图(13CNMR)
分子式:C23H29ClO4
分子量: 404.93
InChI:InChI=1S/C23H29ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11-12,16-18H,5-10H2,1-4H3/t16-,17+,18+,21-,22+,23+/m1/s1
InChIKey: QMBJSIBWORFWQT-DFXBJWIESA-N
Smiles:C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@](OC(C)=O)(C(=O)C)CC3)C=C2Cl
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Mass
MS-IW-3585
17-acetoxy-6-chloro-4,6-pregnadiene-3,20-dione
C23H29ClO4 (Mass of molecular ion: 404)
Source Temperature: 170 °C
Sample Temperature: 170 °C
Direct, 75 eV
18.0 2.9
39.0 1.0
41.0 3.4
43.0 61.8
44.0 1.6
45.0 1.7
53.0 1.8
55.0 4.6
60.0 1.5
65.0 1.4
67.0 2.5
69.0 1.1
77.0 3.7
79.0 4.1
81.0 2.6
83.0 1.0
91.0 5.9
93.0 3.5
95.0 2.5
97.0 2.2
103.0 1.7
105.0 3.4
107.0 7.1
109.0 1.8
115.0 4.1
116.0 1.7
117.0 2.5
119.0 1.7
121.0 1.7
123.0 2.1
125.0 1.2
127.0 1.6
128.0 3.4
129.0 4.0
130.0 1.5
131.0 4.0
132.0 1.2
133.0 5.2
135.0 3.4
136.0 1.6
137.0 1.4
139.0 1.2
141.0 2.4
142.0 1.6
143.0 2.7
144.0 1.4
145.0 2.1
147.0 1.4
149.0 3.2
150.0 1.9
151.0 1.5
152.0 1.4
153.0 1.7
155.0 1.8
157.0 2.2
159.0 1.8
160.0 1.0
165.0 3.2
166.0 1.4
167.0 2.1
168.0 1.0
169.0 1.4
170.0 1.9
171.0 1.8
172.0 1.2
173.0 3.3
174.0 1.2
175.0 14.4
176.0 2.1
177.0 1.2
178.0 1.0
179.0 2.5
180.0 1.1
181.0 2.4
183.0 1.4
189.0 1.0
191.0 1.5
193.0 3.2
194.0 2.8
195.0 3.7
196.0 1.7
197.0 1.5
205.0 1.7
207.0 10.5
208.0 5.1
209.0 5.7
210.0 2.3
211.0 1.3
219.0 1.1
221.0 1.4
223.0 2.2
225.0 1.8
233.0 1.5
234.0 4.5
235.0 1.3
236.0 1.7
237.0 1.3
245.0 1.6
247.0 1.5
249.0 1.0
250.0 1.8
251.0 3.9
252.0 1.1
259.0 1.1
261.0 2.8
263.0 1.7
265.0 4.9
266.0 9.4
267.0 13.6
268.0 2.8
276.0 2.9
278.0 1.0
283.0 1.5
287.0 1.0
300.0 1.9
301.0 100.0
302.0 23.7
303.0 35.0
304.0 7.9
305.0 1.1
309.0 4.4
310.0 1.2
319.0 16.2
320.0 4.0
321.0 5.8
322.0 1.2
329.0 2.7
331.0 1.0
344.0 9.2
345.0 2.3
346.0 3.9
362.0 2.4
404.0 3.0
406.0 1.1