1,4-環(huán)己二酮(637-88-7)質(zhì)譜(MS)
InChI:InChI=1S/C6H8O2/c7-5-1-2-6(8)4-3-5/h1-4H2
InChIKey: DCZFGQYXRKMVFG-UHFFFAOYSA-N
Smiles:C1(=O)CCC(=O)CC1
-
Mass
MS-NW-1978
1,4-cyclohexanedione
C6H8O2 (Mass of molecular ion: 112)
Source Temperature: 220 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
14.0 1.6
15.0 1.2
18.0 1.4
26.0 10.1
27.0 26.1
28.0 100.0
29.0 15.6
38.0 1.2
39.0 4.4
40.0 1.3
41.0 4.1
42.0 18.9
43.0 3.3
50.0 1.0
51.0 1.0
53.0 1.7
54.0 2.8
55.0 30.1
56.0 70.4
57.0 23.7
58.0 1.3
67.0 1.9
69.0 2.4
70.0 4.2
83.0 6.2
84.0 3.1
97.0 1.8
108.0 1.0
111.0 1.6
112.0 83.7
113.0 5.7
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| 1H NMR |
300 MHz |
| C6 H8 O2
|
0.047 g : 0.5 ml CDCl3
|
| 1,4-cyclohexanedione
|
 |
Parameter ppm Hz
D(A) 2.718
|
Hz ppm Int.
815.40 2.718 1000