α-氯醛糖(15879-93-3)核磁圖(1HNMR)
分子式:C8H11Cl3O6
分子量: 309.53
InChI:InChI=1/C8H11Cl3O6/c9-8(10,11)7-16-5-3(14)4(2(13)1-12)15-6(5)17-7/h2-7,12-14H,1H2/t2-,3+,4-,5-,6-,7-/s3
InChIKey: OJYGBLRPYBAHRT-WGURAVEQNA-N
Smiles:[C@H]12O[C@@H](C(Cl)(Cl)Cl)O[C@H]1O[C@H]([C@H](O)CO)[C@@H]2O |&1:0,2,8,10,11,15,r|
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Mass
MS-IW-2511
alpha-chloralose
C8H11Cl3O6 (Mass of molecular ion: 308)
Source Temperature: 180 °C
Sample Temperature: 140 °C
Direct, 75 eV
15.0 5.4
19.0 9.6
26.0 1.1
27.0 8.2
28.0 2.7
29.0 16.9
30.0 2.2
31.0 22.8
36.0 4.1
38.0 1.4
39.0 4.2
41.0 8.7
42.0 4.6
43.0 25.6
44.0 7.5
45.0 16.4
47.0 2.6
48.0 1.7
49.0 1.9
53.0 2.2
54.0 3.7
55.0 7.5
56.0 4.4
57.0 17.7
58.0 1.7
59.0 8.6
60.0 32.9
61.0 43.6
62.0 1.5
63.0 1.4
65.0 1.1
68.0 1.8
69.0 10.7
70.0 1.1
71.0 100.0
72.0 23.7
73.0 91.3
74.0 8.8
75.0 1.6
76.0 1.2
77.0 1.7
81.0 2.0
82.0 1.3
83.0 7.8
84.0 3.4
85.0 40.9
86.0 3.2
87.0 1.9
89.0 3.4
91.0 34.7
92.0 1.3
93.0 1.4
95.0 2.0
96.0 1.1
97.0 6.2
98.0 1.4
99.0 4.3
101.0 13.6
102.0 4.7
103.0 4.8
109.0 2.2
111.0 3.6
112.0 4.5
113.0 54.8
114.0 5.4
115.0 4.1
117.0 2.1
119.0 5.1
120.0 14.9
121.0 1.5
125.0 3.0
127.0 15.8
128.0 1.1
129.0 1.8
130.0 1.5
131.0 12.1
132.0 1.5
143.0 1.1
145.0 6.1
152.0 2.6
153.0 4.4
154.0 3.2
155.0 6.0
156.0 1.4
157.0 1.6
161.0 1.1
173.0 4.0
183.0 1.6
185.0 1.1
188.0 14.5
189.0 3.9
190.0 13.9
191.0 15.5
192.0 4.9
193.0 1.2
195.0 1.1
201.0 5.2
203.0 4.9
205.0 1.6
213.0 1.3
217.0 4.8
218.0 1.1
219.0 4.7
221.0 1.7
229.0 1.5
230.0 7.7
231.0 2.6
232.0 7.5
233.0 1.5
234.0 2.4
247.0 12.1
248.0 1.0
249.0 11.5
251.0 3.8
259.0 1.2
261.0 1.2
277.0 1.6
279.0 1.5