2-OCTYNOIC ACID ISOAMYL ESTER(68555-60-2) MS
Molecular FormulaC13H22O2
Molecular Weight210.31
InChIInChI=1S/C13H22O2/c1-4-5-6-7-8-9-13(14)15-11-10-12(2)3/h12H,4-7,10-11H2,1-3H3
InChIKey OTJSOSMJTUKXJR-UHFFFAOYSA-N
SmilesC(OCCC(C)C)(=O)C#CCCCCC
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![](https://www.chemicalbook.com/Spectrum/68555-60-2_MS_1.jpg)
Mass
MS-IW-7344
isopentyl 2-octynoate
C13H22O2 (Mass of molecular ion: 210)
Source Temperature: 220 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
27.0 4.8
28.0 1.6
29.0 10.7
39.0 5.3
41.0 14.6
42.0 9.8
43.0 25.7
44.0 1.3
45.0 1.0
53.0 4.3
54.0 1.4
55.0 37.0
56.0 4.4
57.0 3.0
65.0 1.1
66.0 4.9
67.0 11.6
68.0 4.2
69.0 8.4
70.0 100.0
71.0 16.4
77.0 1.3
79.0 3.9
80.0 2.3
81.0 5.7
82.0 1.6
83.0 1.0
84.0 1.7
85.0 1.0
86.0 1.0
93.0 3.6
94.0 1.7
95.0 9.4
96.0 1.1
97.0 1.7
98.0 1.8
99.0 1.4
109.0 2.3
111.0 3.1
112.0 1.6
123.0 41.4
124.0 3.9
125.0 3.1
139.0 1.8
140.0 2.3
141.0 27.7
142.0 2.6
155.0 1.2
167.0 3.1
195.0 1.0