Product Name2,4-diacetyl-3-oxoglutaric anhydride
CAS33524-89-9
Molecular FormulaC9H8O6
Molecular Weight212.16
InChI
InChIKey
Smiles

Mass
MS-NW-8799 3,5-diacetyltetrahydropyran-2,4,6-trione C9H8O6 (Mass of molecular ion: 212)
Source Temperature: 180 °C Sample Temperature: 110 °C Direct, 75 eV
15.0 3.8
18.0 3.5
27.0 2.5
28.0 3.2
29.0 1.5
38.0 1.0
39.0 2.8
41.0 1.8
42.0 4.2
43.0 100.0
44.0 3.7
45.0 1.1
53.0 2.6
55.0 3.3
61.0 5.1
66.0 1.5
67.0 5.7
68.0 1.4
69.0 13.3
72.0 1.2
82.0 1.6
84.0 6.0
85.0 4.2
87.0 1.9
96.0 1.4
98.0 1.2
110.0 1.4
111.0 13.3
113.0 1.1
122.0 2.3
124.0 10.0
125.0 1.8
129.0 4.8
138.0 2.9
142.0 2.2
151.0 13.8
152.0 2.0
153.0 1.1
166.0 29.2
167.0 2.7
168.0 2.0
179.0 28.2
180.0 2.5
184.0 2.1
194.0 34.5
195.0 3.6
197.0 17.2
198.0 1.5
212.0 38.2
213.0 5.0
90 MHz in CDCl3
90 MHz in DMSO-d6

| 1H NMR | 89.56 MHz |
| C9 H8 O6 | 0.028 g : 0.5 ml CDCl3 |
| 3,5-diacetyltetrahydropyran-2,4,6-trione | |
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Assign. Shift(ppm) |
Hz ppm Int.
1701.41 18.998 133
1460.89 16.312 36
255.46 2.853 28
255.13 2.849 32
253.60 2.832 48
247.88 2.768 1000
240.40 2.685 784
232.16 2.593 39
231.50 2.585 36
230.73 2.577 31
230.18 2.571 30

| 1H NMR | 89.56 MHz |
| C9 H8 O6 | 0.041 g : 0.5 ml DMSO-d6 |
| 3,5-diacetyltetrahydropyran-2,4,6-trione | |
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Assign. Shift(ppm) |
Hz ppm Int.
860.67 9.610 114
217.02 2.424 1000
212.62 2.375 31
in CDCl3

KBr disc

nujol mull

2,4-diacetyl-3-oxoglutaric anhydride(33524-89-9) IR2 Atlas of Related Products
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