4,5-二甲基-1,3-二氧杂环戊烯-2-酮(37830-90-3)核磁图(13CNMR)
InChI:InChI=1S/C5H6O3/c1-3-4(2)8-5(6)7-3/h1-2H3
InChIKey: QYIOFABFKUOIBV-UHFFFAOYSA-N
Smiles:O1C(C)=C(C)OC1=O
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Mass
MS-NW-9427
4,5-dimethyl-1,3-dioxol-2-one
C5H6O3 (Mass of molecular ion: 114)
Source Temperature: 250 °C
Sample Temperature: 160 °C
Reservoir, 75 eV
14.0 2.3
15.0 11.0
26.0 4.7
27.0 19.3
28.0 3.1
38.0 1.1
39.0 4.9
40.0 6.6
41.0 26.3
42.0 16.9
43.0 100.0
44.0 3.4
53.0 4.2
54.0 2.9
55.0 34.3
56.0 1.4
70.0 5.5
86.0 1.7
114.0 56.5
115.0 3.8
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| 1H NMR |
300 MHz |
| C5 H6 O3
|
0.041 g : 0.5 ml CDCl3
|
| 4,5-dimethyl-1,3-dioxol-2-one
|
 |
Parameter ppm Hz
D(A) 2.044
|
Hz ppm Int.
613.20 2.044 1000