硝基甲烷(75-52-5)质谱(MS)
InChI:InChI=1S/CH3NO2/c1-2(3)4/h1H3
InChIKey: LYGJENNIWJXYER-UHFFFAOYSA-N
Smiles:C[N+]([O-])=O
-
Mass
MS-NW-1662
nitromethane
CH3NO2 (Mass of molecular ion: 61)
Source Temperature: 250 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
14.0 2.4
15.0 35.8
18.0 1.7
27.0 5.4
28.0 6.6
29.0 6.5
30.0 100.0
31.0 1.3
32.0 1.0
42.0 1.3
43.0 4.0
44.0 5.3
45.0 6.1
46.0 52.3
60.0 7.6
61.0 97.5
62.0 1.6
400 MHz in CDCl3
parameter in CDCl3
-
| 1H NMR |
399.65 MHz |
| C H3 N O2
|
0.05 ml : 0.5 ml CDCl3
|
| nitromethane
|
 |
Assign. Shift(ppm)
A 4.341
|
Hz ppm Int.
1734.99 4.342 1000
-
| 1H NMR |
300 MHz |
| C H3 N O2
|
5 vol% in TMS
|
| nitromethane
|
|
Parameter ppm Hz
D(A) 5.95
FRANKISS,S.G. J.PHYS.CHEM. 67, 752 (1963)
J(A,C-13):146.7HZ.
|
Hz ppm Int.
1785.00 5.950 1000