n-Butyl fumarate(105-76-0) 13C NMR
Molecular FormulaC12H20O4
Molecular Weight228.28
InChIInChI=1S/C12H20O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h7-8H,3-6,9-10H2,1-2H3/b8-7-
InChIKey JBSLOWBPDRZSMB-FPLPWBNLSA-N
SmilesC(OCCCC)(=O)/C=C\C(OCCCC)=O
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Mass
MS-NW-0095
dibutyl maleate
C12H20O4 (Mass of molecular ion: 228)
Source Temperature: 240 °C
Sample Temperature: 95 °C
Reservoir, 75 eV
17.0 1.0
18.0 4.6
26.0 3.6
27.0 11.0
28.0 13.7
29.0 23.0
31.0 1.2
32.0 5.3
39.0 4.9
41.0 28.9
42.0 1.8
43.0 3.2
45.0 1.5
53.0 2.1
54.0 8.2
55.0 7.6
56.0 31.9
57.0 68.2
58.0 2.9
69.0 2.0
71.0 2.7
72.0 1.9
73.0 1.1
75.0 2.8
81.0 2.3
82.0 6.7
89.0 1.3
91.0 3.5
99.0 100.0
100.0 20.6
101.0 2.4
117.0 53.7
118.0 2.8
126.0 1.5
127.0 3.7
154.0 4.7
155.0 32.8
156.0 4.9
157.0 1.1
171.0 1.2
173.0 17.7
174.0 1.9