己烯雌酚(56-53-1)核磁圖(1HNMR)
InChI:InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+
InChIKey: RGLYKWWBQGJZGM-ISLYRVAYSA-N
Smiles:C(/C1=CC=C(O)C=C1)(\CC)=C(\C1=CC=C(O)C=C1)/CC
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Mass
MS-NW-2346
(E)-diethylstilbestrol
C18H20O2 (Mass of molecular ion: 268)
Source Temperature: 200 °C
Sample Temperature: 130 °C
Direct, 75 eV
17.0 1.8
18.0 8.7
27.0 4.2
28.0 2.2
29.0 2.6
39.0 6.7
40.0 1.0
41.0 3.3
43.0 1.7
50.0 1.2
51.0 4.6
52.0 1.0
53.0 2.3
55.0 5.8
63.0 3.4
64.0 1.2
65.0 6.4
66.0 1.5
75.0 1.5
76.0 1.7
77.0 12.4
78.0 2.0
79.0 3.9
88.0 1.1
89.0 3.3
91.0 9.9
92.0 1.1
93.0 1.2
94.0 3.6
95.0 1.3
97.0 1.0
101.0 1.7
102.0 1.5
103.0 4.9
104.0 1.1
105.0 5.8
107.0 66.7
108.0 5.1
112.0 1.9
115.0 8.0
116.0 2.6
117.0 3.5
118.0 1.9
119.0 6.8
120.0 1.5
121.0 20.6
122.0 1.7
127.0 5.9
128.0 2.9
129.0 1.6
131.0 7.8
132.0 2.5
133.0 15.6
134.0 7.1
135.0 6.6
139.0 1.2
141.0 3.3
144.0 5.8
145.0 55.5
146.0 8.3
147.0 3.7
151.0 1.2
152.0 3.9
153.0 2.0
155.0 1.1
157.0 1.7
158.0 1.6
159.0 20.7
160.0 2.9
161.0 2.1
165.0 5.0
166.0 1.3
167.0 1.0
173.0 1.5
174.0 3.0
177.0 1.5
178.0 1.8
179.0 1.1
181.0 5.3
182.0 1.9
183.0 1.7
189.0 1.0
193.0 1.0
194.0 2.2
195.0 2.9
196.0 1.3
197.0 1.9
199.0 1.4
207.0 2.1
209.0 1.4
210.0 8.3
211.0 5.5
212.0 1.0
223.0 5.7
224.0 12.7
225.0 3.1
237.0 2.4
238.0 2.4
239.0 56.3
240.0 10.0
241.0 1.1
253.0 12.8
254.0 2.5
266.0 1.1
267.0 2.4
268.0 100.0
269.0 19.1
270.0 2.2