12-冠醚-4(294-93-9)質(zhì)譜(MS)
InChI:InChI=1S/C8H16O4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h1-8H2
InChIKey: XQQZRZQVBFHBHL-UHFFFAOYSA-N
Smiles:O1CCOCCOCCOCC1
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Mass
MS-NW-5833
12-crown-4
C8H16O4 (Mass of molecular ion: 176)
Source Temperature: 260 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
15.0 8.5
18.0 1.3
19.0 2.1
26.0 1.9
27.0 9.2
28.0 26.0
29.0 10.1
30.0 2.7
31.0 10.7
41.0 3.1
42.0 9.6
43.0 38.0
44.0 34.3
45.0 100.0
46.0 2.6
56.0 1.4
57.0 8.1
58.0 14.9
59.0 11.8
60.0 1.1
61.0 2.5
70.0 4.8
71.0 4.2
72.0 8.8
73.0 16.6
74.0 2.5
75.0 5.4
86.0 3.5
87.0 14.1
88.0 10.3
89.0 26.4
90.0 1.4
101.0 5.3
102.0 2.4
103.0 1.6
104.0 1.0
117.0 1.3
133.0 4.2
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| 1H NMR |
300 MHz |
| C8 H16 O4
|
0.04 ml : 0.5 ml CDCl3
|
| 12-crown-4
|
 |
Parameter ppm Hz
D(A) 3.703
|
Hz ppm Int.
1110.90 3.703 1000