1,1-CYCLOHEXANEDICARBOXYLIC ACID DIETHYL ESTER(1139-13-5) 13C NMR
Molecular FormulaC12H20O4
Molecular Weight228.28
InChIInChI=1S/C12H20O4/c1-3-15-10(13)12(11(14)16-4-2)8-6-5-7-9-12/h3-9H2,1-2H3
InChIKey MLHUKQNAQSRVKI-UHFFFAOYSA-N
SmilesC1CC(C(OCC)=O)(C(=O)OCC)CCC1
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Mass
MS-KW-0950
1,1-cyclohexanedicarboxylic acid diethyl ester
C12H20O4 (Mass of molecular ion: 228)
Source Temperature: 240 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
26.0 1.2
27.0 11.7
28.0 4.0
29.0 47.2
30.0 1.2
31.0 2.4
39.0 5.9
40.0 1.8
41.0 14.4
42.0 1.6
43.0 10.2
44.0 2.6
45.0 3.5
47.0 1.1
53.0 6.8
54.0 6.8
55.0 11.5
56.0 2.6
57.0 2.1
60.0 2.3
61.0 1.7
65.0 1.1
66.0 2.2
67.0 18.0
68.0 6.4
69.0 5.8
73.0 3.8
77.0 2.2
79.0 9.7
80.0 14.4
81.0 100.0
82.0 10.4
83.0 6.6
85.0 2.3
86.0 1.0
87.0 1.1
88.0 3.6
94.0 1.6
95.0 3.9
97.0 2.1
99.0 8.6
101.0 2.2
108.0 19.0
109.0 41.3
110.0 10.7
111.0 4.1
112.0 3.5
113.0 1.5
115.0 2.4
125.0 8.4
126.0 5.8
127.0 29.5
128.0 12.3
129.0 1.4
133.0 1.0
136.0 15.6
137.0 1.6
140.0 3.5
141.0 1.6
145.0 2.6
153.0 1.1
154.0 20.4
155.0 33.1
156.0 10.4
157.0 1.1
160.0 33.5
161.0 3.5
173.0 77.1
174.0 7.0
182.0 8.7
183.0 14.8
184.0 1.7
186.0 1.5
228.0 1.8