Product NameDiethyl succinosuccinate
CAS787-07-5
Molecular FormulaC12H16O6
Molecular Weight256.25
InChI
InChIKey
Smiles

Mass
MS-NW-8958 diethyl 2,5-dioxo-1,4-cyclohexanedicarobxylate C12H16O6 (Mass of molecular ion: 256)
Source Temperature: 170 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 2.4
27.0 11.1
28.0 2.5
29.0 20.3
31.0 2.7
39.0 3.1
40.0 3.1
41.0 4.3
42.0 1.3
43.0 3.5
45.0 4.4
51.0 1.7
52.0 4.2
53.0 8.7
54.0 5.3
55.0 23.6
56.0 2.2
65.0 1.9
68.0 5.0
69.0 7.2
70.0 1.6
71.0 2.8
72.0 4.1
73.0 14.1
79.0 2.3
80.0 4.4
81.0 11.1
82.0 5.0
83.0 5.7
85.0 1.4
87.0 2.6
93.0 1.8
96.0 21.7
97.0 4.3
98.0 5.0
99.0 17.0
100.0 4.4
101.0 15.3
107.0 4.0
108.0 12.4
109.0 17.4
110.0 8.4
111.0 12.0
112.0 1.5
113.0 1.7
114.0 30.2
115.0 3.3
121.0 1.2
125.0 3.1
126.0 8.4
127.0 9.2
128.0 3.0
129.0 3.9
134.0 1.3
135.0 8.8
136.0 45.5
137.0 80.6
138.0 9.5
139.0 2.5
142.0 95.2
143.0 7.5
153.0 8.9
154.0 10.3
155.0 16.5
156.0 1.7
162.0 4.3
163.0 6.6
164.0 29.0
165.0 33.3
166.0 4.1
180.0 1.7
181.0 32.5
182.0 25.0
183.0 19.7
184.0 3.0
192.0 27.9
193.0 4.4
199.0 11.0
200.0 1.2
208.0 6.3
209.0 10.9
210.0 83.3
211.0 36.5
212.0 4.5
227.0 41.4
228.0 5.8
238.0 14.2
239.0 2.1
254.0 2.3
255.0 3.3
256.0 100.0
257.0 14.0
258.0 2.1
400 MHz in CDCl3

| 1H NMR | 399.65 MHz |
| C12 H16 O6 | 0.043 g : 0.5 ml CDCl3 |
| diethyl 2,5-dioxo-1,4-cyclohexanedicarobxylate | |
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Assign. Shift(ppm) |
Hz ppm Int.
4876.63 12.203 329
1707.29 4.272 146
1700.15 4.255 444
1693.01 4.237 454
1685.86 4.219 156
1268.98 3.176 1000
534.85 1.339 461
531.37 1.330 36
527.70 1.321 903
520.56 1.303 474
in CDCl3

KBr disc

nujol mull


Diethyl succinosuccinate(787-07-5) 1H NMR Atlas of Related Products
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