Product NameCyanoacetylurea
CAS1448-98-2
Molecular FormulaC4H5N3O2
Molecular Weight127.1
InChIInChI=1S/C4H5N3O2/c5-2-1-3(8)7-4(6)9/h1H2,(H3,6,7,8,9)
InChIKey QJGRPCPCQQPZLZ-UHFFFAOYSA-N
SmilesC(NC(N)=O)(=O)CC#N

Mass
MS-NW-8006 (cyanoacetyl)urea C4H5N3O2 (Mass of molecular ion: 127)
Source Temperature: 190 °C Sample Temperature: 130 °C Direct, 75 eV
14.0 1.5
16.0 5.0
17.0 5.3
18.0 2.3
27.0 1.3
28.0 4.4
29.0 1.9
38.0 2.1
39.0 4.6
40.0 16.3
41.0 33.0
42.0 4.3
43.0 7.2
44.0 100.0
45.0 1.5
60.0 1.0
67.0 2.0
68.0 7.7
70.0 1.7
84.0 20.8
85.0 1.2
87.0 3.7
127.0 3.8
400 MHz in DMSO-d6

| 1H NMR | 399.65 MHz |
| C4 H5 N3 O2 | 0.038 g : 0.5 ml DMSO-d6 |
| (cyanoacetyl)urea | |
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Assign. Shift(ppm) |
Hz ppm Int.
4156.59 10.401 178 2942.75 7.364 186 1562.41 3.910 1000
in DMSO-d6

KBr disc

nujol mull

Cyanoacetylurea(1448-98-2) 13C NMR Atlas of Related Products