環(huán)庚烷(291-64-5)質(zhì)譜(MS)
InChI:InChI=1S/C7H14/c1-2-4-6-7-5-3-1/h1-7H2
InChIKey: DMEGYFMYUHOHGS-UHFFFAOYSA-N
Smiles:C1CCCCCC1
-
Mass
MS-NW-3926
cycloheptane
C7H14 (Mass of molecular ion: 98)
Source Temperature: 260 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
15.0 1.7
26.0 2.4
27.0 23.2
28.0 4.8
29.0 23.9
38.0 2.2
39.0 30.9
40.0 6.2
41.0 77.6
42.0 75.4
43.0 14.1
50.0 1.6
51.0 2.9
52.0 1.3
53.0 8.5
54.0 18.4
55.0 96.8
56.0 100.0
57.0 17.9
63.0 1.0
65.0 2.0
66.0 1.7
67.0 13.2
68.0 27.2
69.0 61.7
70.0 85.7
71.0 5.1
77.0 1.1
79.0 1.5
81.0 7.5
82.0 4.6
83.0 48.6
84.0 3.7
91.0 2.0
92.0 1.4
95.0 1.1
96.0 3.4
97.0 1.7
98.0 62.9
99.0 5.0
-
| 1H NMR |
300 MHz |
| C7 H14
|
0.04 ml : 0.5 ml CDCl3
|
| cycloheptane
|
 |
Parameter ppm Hz
D(A) 1.523
|
Hz ppm Int.
456.90 1.523 1000