AMINOACETONITRILE HYDROGEN SULFATE(151-63-3) 1H NMR
Molecular FormulaC2H6N2O4S
Molecular Weight154.15
InChIInChI=1S/C2H4N2.H2O4S/c3-1-2-4;1-5(2,3)4/h1,3H2;(H2,1,2,3,4)
InChIKey GTGIXCPOLMWQTC-UHFFFAOYSA-N
SmilesS(O)(O)(=O)=O.C(N)C#N
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Mass
MS-NW-9142
aminoacetonitrile hydrogensulfate
C2H4N2 H2O4S (Mass of molecular ion: 56)
Source Temperature: 190 °C
Sample Temperature: 150 °C
Direct, 75 eV
16.0 1.7
17.0 6.5
18.0 30.5
25.0 1.3
26.0 3.1
27.0 18.4
28.0 79.7
29.0 64.4
30.0 34.5
38.0 4.1
39.0 4.4
40.0 9.9
41.0 1.7
52.0 1.5
53.0 12.5
54.0 2.6
55.0 100.0
56.0 59.6
57.0 2.8
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1H NMR |
300 MHz |
C2 H4 N2
|
0.040 g : 0.5 ml D2O
|
aminoacetonitrile hydrogensulfate
|
 |
Parameter ppm Hz
D(A) 4.184
|
Hz ppm Int.
1255.20 4.184 1000