尿素(57-13-6)紅外圖譜(IR1)
InChI:InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)
InChIKey: XSQUKJJJFZCRTK-UHFFFAOYSA-N
Smiles:NC(N)=O
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Mass
MS2014-05099CW
urea
CH4N2O (Mass of molecular ion: 60)
Source Temperature: 240 °C
Sample Temperature: 20 °C
Direct, 70 eV
15.0 2.0
16.0 21.1
17.0 75.6
18.0 24.4
27.0 3.3
28.0 8.7
29.0 8.7
30.0 2.2
31.0 5.7
41.0 4.2
42.0 14.3
43.0 62.0
44.0 98.0
45.0 3.1
60.0 100.0
61.0 15.0
parameter in acetone+DMSO+tetramethylurea
in DMSO-d6
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| 1H NMR |
300 MHz |
| C H4 N2 O
|
in acetone+DMSO+tetramethylurea
|
| urea
|
 |
Parameter ppm Hz
D(A) 5.6
STILBS,P. & FORSEN,S. ORG.MAGN.RESON. 8, 384 (1976)
J(1)(A,N-15):86.8HZ. J(3)(A,N-15):1.7HZ. J(4)(A,A):1.0HZ.
J(2)(N-15,N-15):5.1HZ.
|
Hz ppm Int.
1680.00 5.600 1000
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