Dibutyl fumarate(105-75-9) 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-BQYQJAHWSA-N
SmilesC(OCCCC)(=O)/C=C/C(OCCCC)=O
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![](https://www.chemicalbook.com/Spectrum/105-75-9_MS.gif)
Mass
MS-NW-3971
dibutyl fumarate
C12H20O4 (Mass of molecular ion: 228)
Source Temperature: 270 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
15.0 1.0
26.0 6.2
27.0 19.2
28.0 4.8
29.0 30.2
31.0 1.8
32.0 1.0
39.0 7.1
40.0 1.5
41.0 37.6
42.0 2.3
43.0 4.7
45.0 1.9
53.0 5.3
54.0 12.7
55.0 16.4
56.0 91.5
57.0 51.8
58.0 2.5
71.0 5.7
72.0 2.2
73.0 1.7
81.0 7.4
82.0 11.0
89.0 2.5
97.0 2.4
98.0 1.8
99.0 45.6
100.0 16.9
101.0 1.5
109.0 2.6
117.0 82.6
118.0 4.3
119.0 1.0
126.0 1.7
127.0 9.1
128.0 1.7
145.0 1.1
154.0 3.3
155.0 100.0
156.0 10.4
157.0 1.6
173.0 34.7
174.0 3.5