三甲基乙腈(630-18-2)质谱(MS)
InChI:InChI=1S/C5H9N/c1-5(2,3)4-6/h1-3H3
InChIKey: JAMNHZBIQDNHMM-UHFFFAOYSA-N
Smiles:C(#N)C(C)(C)C
-
Mass
MS-NW-6396
pivalonitrile
C5H9N (Mass of molecular ion: 83)
Source Temperature: 260 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
15.0 4.8
18.0 2.3
26.0 2.3
27.0 10.4
28.0 3.4
29.0 3.1
37.0 2.2
38.0 2.8
39.0 14.2
40.0 5.5
41.0 80.0
42.0 100.0
43.0 3.2
51.0 2.0
52.0 5.0
53.0 1.2
54.0 1.4
55.0 2.3
57.0 1.2
64.0 1.5
66.0 3.7
67.0 15.5
68.0 48.5
69.0 2.6
82.0 4.4
-
| 1H NMR |
300 MHz |
| C5 H9 N
|
in CCl4
|
| pivalonitrile
|
 |
Parameter ppm Hz
D(A) 1.44
KUNTZ,I.D. ET AL. J.CHEM.PHYS. 35, 1533 (1961)
|
Hz ppm Int.
432.00 1.440 1000