(+)-灰黃霉素(126-07-8)核磁圖(13CNMR)
分子式:C17H17ClO6
分子量: 352.77
InChI:InChI=1/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3/t8-,17+/s3
InChIKey: DDUHZTYCFQRHIY-ONINOZFXNA-N
Smiles:O=C1C2C(=CC(OC)=C(Cl)C=2O[C@@]21[C@@H](CC(=O)C=C2OC)C)OC |&1:12,13,r|
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Mass
MS-IW-1186
(+)-griseofulvin
C17H17ClO6 (Mass of molecular ion: 352)
Source Temperature: 220 °C
Sample Temperature: 200 °C
Direct, 75 eV
15.0 4.2
27.0 4.0
28.0 1.1
29.0 1.0
39.0 7.6
40.0 1.7
41.0 10.0
42.0 1.4
43.0 3.6
50.0 1.9
51.0 4.7
52.0 3.3
53.0 10.6
55.0 4.8
59.0 7.4
61.0 1.3
62.0 2.2
63.0 3.6
64.0 1.7
65.0 7.0
66.0 4.8
67.0 5.6
68.0 1.2
69.0 31.1
70.0 1.3
72.0 1.1
73.0 2.2
74.0 1.6
75.0 4.6
76.0 1.1
77.0 8.6
78.0 2.3
79.0 3.9
80.0 2.1
81.0 1.1
83.0 1.9
84.0 2.1
85.0 1.8
86.0 1.1
87.0 1.9
89.0 1.9
90.0 1.5
91.0 1.6
93.0 2.6
94.0 1.2
95.0 8.0
96.0 2.4
97.0 4.7
98.0 1.3
99.0 3.3
100.0 1.6
101.0 1.5
102.0 1.2
103.0 3.3
105.0 1.7
106.0 1.1
107.0 1.4
108.0 1.1
109.0 6.0
110.0 5.2
111.0 2.1
112.0 2.1
113.0 2.2
115.0 2.4
117.0 1.0
121.0 1.7
123.0 10.3
124.0 1.9
125.0 3.2
126.0 3.7
127.0 5.6
128.0 1.3
129.0 3.0
131.0 1.1
133.0 2.4
135.0 2.6
136.0 1.3
137.0 3.8
138.0 81.9
139.0 9.3
140.0 17.8
141.0 6.1
142.0 7.2
143.0 3.4
144.0 1.1
145.0 1.6
149.0 1.5
150.0 1.1
151.0 1.6
152.0 3.6
153.0 2.2
155.0 3.3
156.0 2.2
157.0 2.3
158.0 1.0
159.0 1.5
161.0 1.1
163.0 1.2
164.0 1.8
165.0 3.9
166.0 1.0
167.0 1.9
168.0 7.9
169.0 4.2
170.0 4.1
171.0 13.7
172.0 3.5
173.0 4.8
174.0 1.4
176.0 1.6
177.0 1.1
178.0 1.1
179.0 2.6
180.0 1.6
181.0 2.2
182.0 1.0
183.0 3.9
184.0 2.7
185.0 4.1
186.0 3.3
187.0 2.2
188.0 2.5
189.0 1.2
190.0 1.1
193.0 1.4
194.0 1.1
195.0 1.7
196.0 1.3
197.0 9.0
198.0 2.2
199.0 4.6
200.0 4.8
201.0 13.8
202.0 3.1
203.0 5.1
204.0 1.0
205.0 1.1
207.0 1.5
208.0 1.3
209.0 2.8
210.0 1.8
211.0 3.4
212.0 1.5
213.0 2.9
214.0 55.4
215.0 56.5
216.0 24.0
217.0 19.3
218.0 2.6
219.0 1.1
221.0 2.2
222.0 2.4
223.0 3.4
224.0 2.6
225.0 6.1
226.0 2.0
227.0 2.8
228.0 2.5
229.0 1.5
230.0 1.1
234.0 5.6
235.0 3.1
236.0 5.7
237.0 8.6
238.0 3.9
239.0 11.1
240.0 4.0
241.0 4.4
242.0 1.8
243.0 1.4
249.0 2.4
250.0 3.9
251.0 5.2
252.0 8.1
253.0 14.2
254.0 23.8
255.0 10.5
256.0 8.1
257.0 3.2
258.0 1.4
259.0 1.0
263.0 1.8
264.0 1.3
265.0 2.7
266.0 4.5
267.0 11.9
268.0 3.9
269.0 9.4
270.0 1.8
271.0 3.3
273.0 1.2
276.0 1.7
277.0 2.5
278.0 1.8
279.0 2.6
280.0 2.1
281.0 5.4
282.0 14.5
283.0 8.5
284.0 30.4
285.0 6.6
286.0 9.7
287.0 3.3
291.0 1.5
292.0 1.6
293.0 4.9
294.0 2.0
295.0 8.5
296.0 1.9
297.0 2.6
305.0 1.3
306.0 1.7
307.0 1.5
308.0 1.2
309.0 5.1
310.0 87.2
311.0 22.4
312.0 30.8
313.0 7.3
314.0 1.1
317.0 1.8
318.0 2.0
319.0 1.6
320.0 1.1
321.0 49.6
322.0 10.7
323.0 19.5
324.0 5.2
325.0 1.6
335.0 3.1
336.0 1.1
337.0 13.2
338.0 2.6
339.0 4.3
351.0 1.0
352.0 100.0
353.0 20.2
354.0 34.7
355.0 6.6
356.0 1.0