鸟嘌呤盐酸盐(635-39-2)核磁图(13CNMR)
分子式:C5H6ClN5O
分子量: 187.59
InChI:InChI=1S/C5H5N5O.ClH/c6-5-9-3-2(4(11)10-5)7-1-8-3;/h1H,(H4,6,7,8,9,10,11);1H
InChIKey: IBAOFQIOOBQLHE-UHFFFAOYSA-N
Smiles:N1C2=C(N=C(NC2=O)N)N=C1.[H]Cl
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Mass
MS-NW-8322
guanine hydrochloride
C5H5N5O HCl (Mass of molecular ion: 151)
Source Temperature: 250 °C
Sample Temperature: 270 °C
Direct, 75 eV
17.0 1.1
18.0 4.6
27.0 6.9
28.0 30.6
29.0 3.2
35.0 1.2
36.0 9.2
38.0 4.2
39.0 2.2
40.0 1.2
41.0 1.5
42.0 7.7
43.0 47.8
44.0 13.9
52.0 1.3
53.0 19.1
54.0 25.7
55.0 5.1
56.0 1.5
65.0 1.0
66.0 1.4
67.0 1.3
68.0 5.2
69.0 9.7
70.0 2.5
75.5 1.6
79.0 2.4
80.0 3.4
81.0 8.5
82.0 4.2
83.0 2.0
96.0 2.7
97.0 1.2
106.0 3.5
107.0 1.4
108.0 10.0
109.0 21.8
110.0 21.5
111.0 1.2
123.0 1.4
124.0 1.4
134.0 9.5
135.0 5.9
151.0 100.0
152.0 8.0
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| 1H NMR |
300 MHz |
| C5 H5 N5 O
|
saturated in D2O
|
| guanine hydrochloride
|
 |
Parameter ppm Hz
D(A) 8.751
|
Hz ppm Int.
2625.30 8.751 1000