5,5-二甲基海因(77-71-4)核磁圖(1HNMR)
InChI:InChI=1S/C5H8N2O2/c1-5(2)3(8)6-4(9)7-5/h1-2H3,(H2,6,7,8,9)
InChIKey: YIROYDNZEPTFOL-UHFFFAOYSA-N
Smiles:C1(=O)NC(C)(C)C(=O)N1
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Mass
MS-NW-0254
5,5-dimethylhydantoin
C5H8N2O2 (Mass of molecular ion: 128)
Source Temperature: 180 °C
Sample Temperature: 0 °C
Direct, 75 eV
15.0 5.4
26.0 1.0
27.0 3.0
28.0 3.6
29.0 1.0
38.0 1.5
39.0 8.2
40.0 3.1
41.0 9.7
42.0 100.0
43.0 2.8
44.0 1.9
56.0 1.9
57.0 25.6
58.0 1.1
70.0 3.8
100.0 14.3
113.0 58.7
114.0 3.6
128.0 34.5
129.0 2.2
parameter in D2O
90 MHz in CDCl3
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| 1H NMR |
300 MHz |
| C5 H8 N2 O2
|
0.040 g : 0.5 ml D2O
|
| 5,5-dimethylhydantoin
|
 |
Parameter ppm Hz
D(A) 1.435
|
Hz ppm Int.
430.50 1.435 1000
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| 1H NMR |
89.56 MHz |
| C5 H8 N2 O2
|
0.040 g : 0.5 ml D2O
|
| 5,5-dimethylhydantoin
|
|
Assign. Shift(ppm)
B 1.436
THE SOLVENT SIGNAL REMOVED.
|
Hz ppm Int.
128.63 1.437 1000