腺嘌呤鹽酸鹽(2922-28-3)核磁圖(1HNMR)
InChI:InChI=1S/C5H5N5.ClH/c6-4-3-5(9-1-7-3)10-2-8-4;/h1-2H,(H3,6,7,8,9,10);1H
InChIKey: UQVDQSWZQXDUJB-UHFFFAOYSA-N
Smiles:C12N=CNC=1N=CN=C2N.Cl
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Mass
MS-NW-0241
adenine hydrochloride
C5H5N5 HCl (Mass of molecular ion: 135)
Source Temperature: 200 °C
Sample Temperature: 0 °C
Direct, 75 eV
17.0 3.9
18.0 15.8
27.0 3.0
28.0 29.3
29.0 6.0
35.0 11.2
36.0 62.5
37.0 4.0
38.0 22.0
39.0 3.9
40.0 2.8
43.0 5.4
53.0 12.3
54.0 14.1
55.0 3.0
56.0 1.4
64.0 1.6
65.0 2.5
66.0 8.2
67.0 2.5
68.0 3.0
70.0 3.4
80.0 3.7
81.0 11.0
92.0 1.9
93.0 1.1
107.0 2.1
108.0 29.6
109.0 2.2
118.0 1.0
119.0 1.1
134.0 3.6
135.0 100.0
136.0 7.1
400 MHz DMSO-d6
90 MHz in D2O
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1H NMR |
399.65 MHz |
C5 H5 N5
|
0.039 g : 0.5 ml DMSO-d6
|
adenine hydrochloride
|
|
Assign. Shift(ppm)
A *1 9.5
B *1 9.1
C 8.632
D 8.610
|
Hz ppm Int.
3801.27 9.512 36
3648.99 9.131 35
3449.86 8.633 911
3441.31 8.611 1000
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1H NMR |
89.56 MHz |
C5 H5 N5
|
saturated in D2O
|
adenine hydrochloride
|
|
Assign. Shift(ppm)
A 8.480
B 8.420
SOLVENT PEAK REMOVED
|
Hz ppm Int.
764.13 8.533 39
763.50 8.526 43
763.19 8.522 51
759.56 8.482 1000
757.00 8.453 107
754.19 8.422 970
751.75 8.394 72
751.44 8.391 68
750.31 8.378 55
749.56 8.370 54
748.44 8.357 45
747.88 8.351 39