4-硝基苯-Β-D-吡喃葡萄糖苷(2492-87-7)Raman光譜
分子式:C12H15NO8
分子量: 301.25
InChI:InChI=1/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11-,12-/s3
InChIKey: IFBHRQDFSNCLOZ-RGPAMQPRNA-N
Smiles:[C@@H]1(OC2=CC=C([N+]([O-])=O)C=C2)O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO |&1:0,12,13,15,17,r|
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Mass
MS-NW-2318
p-nitrophenyl beta-D-glucopyranoside
C12H15NO8 (H2O) (Mass of molecular ion: 301)
Source Temperature: 270 °C
Sample Temperature: 230 °C
Direct, 75 eV
14.0 3.2
15.0 16.8
17.0 5.8
18.0 27.6
19.0 24.1
25.0 1.4
26.0 8.9
27.0 28.0
28.0 22.5
29.0 45.5
30.0 16.2
31.0 48.7
32.0 2.3
37.0 4.2
38.0 10.9
39.0 55.8
40.0 5.0
41.0 23.9
42.0 17.8
43.0 61.5
44.0 14.8
45.0 54.5
46.0 1.6
47.0 7.2
49.0 1.8
50.0 11.7
51.0 8.8
52.0 8.3
53.0 18.0
54.0 5.4
55.0 28.2
56.0 17.7
57.0 82.4
58.0 4.6
59.0 6.1
60.0 79.7
61.0 56.6
62.0 7.0
63.0 15.6
64.0 9.8
65.0 65.6
66.0 5.3
67.0 1.8
68.0 4.3
69.0 46.6
70.0 13.0
71.0 29.8
72.0 8.6
73.0 100.0
74.0 13.0
75.0 10.1
76.0 8.0
77.0 7.3
78.0 2.4
79.0 3.2
80.0 4.2
81.0 25.4
82.0 2.5
83.0 4.8
84.0 2.3
85.0 91.0
86.0 6.7
87.0 56.8
88.0 3.5
89.0 5.9
90.0 1.7
91.0 25.9
92.0 4.9
93.0 22.6
94.0 7.2
95.0 2.9
96.0 3.1
97.0 22.4
98.0 11.2
99.0 12.3
100.0 1.1
101.0 8.3
102.0 2.7
103.0 8.9
106.0 1.4
107.0 4.7
108.0 2.2
109.0 49.6
110.0 4.0
112.0 1.0
113.0 2.4
114.0 1.4
115.0 6.5
116.0 2.1
118.0 1.1
122.0 1.8
123.0 20.0
124.0 3.1
126.0 2.4
127.0 35.0
128.0 2.8
131.0 2.4
133.0 1.2
135.0 1.0
136.0 1.9
139.0 63.7
140.0 12.3
141.0 1.5
144.0 5.2
145.0 60.2
146.0 4.6
147.0 1.2
152.0 2.5
162.0 1.7
163.0 10.6
164.0 1.0
165.0 2.3
181.0 2.0
182.0 2.3