N-CAPRYLIC ACID ISOBUTYL ESTER(5461-06-3) MS
Molecular FormulaC12H24O2
Molecular Weight200.32
InChIInChI=1S/C12H24O2/c1-4-5-6-7-8-9-12(13)14-10-11(2)3/h11H,4-10H2,1-3H3
InChIKey CFQRBRGFNFRMBD-UHFFFAOYSA-N
SmilesC(OCC(C)C)(=O)CCCCCCC
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![](https://www.chemicalbook.com/Spectrum/5461-06-3_MS_1.jpg)
Mass
MS2015-05129CW
isobutyl octanoate
C12H24O2 (Mass of molecular ion: 200)
Source Temperature: 250 °C
Sample Temperature: 250 °C
Reservoir, 70 eV
27.0 3.7
29.0 7.6
39.0 5.2
40.0 1.1
41.0 19.6
42.0 3.8
43.0 10.6
53.0 1.2
55.0 9.1
56.0 50.2
57.0 53.0
58.0 2.3
60.0 10.6
61.0 2.6
67.0 2.1
69.0 2.6
71.0 1.0
73.0 7.8
74.0 1.0
82.0 1.2
83.0 3.5
84.0 3.1
85.0 2.0
86.0 1.0
87.0 4.8
89.0 2.4
97.0 2.0
98.0 2.1
101.0 7.9
103.0 1.2
109.0 3.6
115.0 3.1
116.0 4.7
125.0 1.3
127.0 100.0
128.0 7.7
129.0 1.3
144.0 8.4
145.0 40.0
146.0 3.9
170.0 1.6