硫酸甲酯胍(2:1)(598-12-9)红外图谱(IR1)
分子式:C4H16N6O4S
分子量: 244.27
InChI:InChI=1S/2C2H7N3.H2O4S/c2*1-5-2(3)4;1-5(2,3)4/h2*1H3,(H4,3,4,5);(H2,1,2,3,4)
InChIKey: WTYJBGQERCCGAD-UHFFFAOYSA-N
Smiles:S(=O)(=O)(O)O.C(=N)(N)NC.C(=N)(N)NC
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Mass
MS-IW-3880
1-methylguanidine sulfate
C2H7N3 1/2H2O4S (Mass of molecular ion: 73)
Source Temperature: 180 °C
Sample Temperature: 240 °C
Direct, 75 eV
12.0 1.7
13.0 2.2
14.0 2.1
15.0 13.4
16.0 50.6
17.0 60.5
18.0 19.5
22.0 1.8
26.0 2.7
27.0 15.3
28.0 79.7
29.0 24.1
30.0 95.1
31.0 81.9
32.0 2.6
41.0 5.6
42.0 47.5
43.0 62.9
44.0 100.0
45.0 3.1
48.0 4.4
53.0 1.5
55.0 11.0
56.0 10.7
57.0 13.6
58.0 1.6
60.0 2.8
64.0 8.6
68.0 1.1
69.0 2.6
72.0 11.5
73.0 36.4
74.0 5.7
80.0 2.9
83.0 1.3
84.0 1.0
94.0 1.2
98.0 1.6
99.0 1.0
111.0 1.1
112.0 1.7
126.0 1.2
140.0 1.0
141.0 5.0
155.0 2.6
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| 1H NMR |
300 MHz |
| C2 H7 N3
|
0.028 g : 0.5 ml D2O
|
| 1-methylguanidine sulfate
|
 |
Parameter ppm Hz
D(A) 2.831
|
Hz ppm Int.
849.30 2.831 1000