3-OXOENANTHIC ACID ETHYL ESTER(7737-62-4) 1H NMR
Molecular FormulaC9H16O3
Molecular Weight172.22
InChIInChI=1S/C9H16O3/c1-3-5-6-8(10)7-9(11)12-4-2/h3-7H2,1-2H3
InChIKey UKRVECBFDMVBPU-UHFFFAOYSA-N
SmilesC(OCC)(=O)CC(=O)CCCC
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Mass
MS-IW-2204
ethyl 3-oxoheptanoate
C9H16O3 (Mass of molecular ion: 172)
Source Temperature: 220 °C
Sample Temperature: 160 °C
Reservoir, 75 eV
15.0 2.0
26.0 1.7
27.0 17.6
28.0 6.2
29.0 66.8
30.0 1.8
31.0 8.4
39.0 6.9
40.0 1.8
41.0 30.7
42.0 12.3
43.0 42.4
44.0 2.7
45.0 7.4
46.0 1.6
53.0 1.7
55.0 12.3
56.0 13.1
57.0 86.8
58.0 11.7
59.0 1.0
60.0 8.7
61.0 3.8
69.0 11.8
70.0 3.9
71.0 1.9
73.0 2.7
83.0 3.2
84.0 38.6
85.0 100.0
86.0 6.7
87.0 15.4
88.0 38.6
89.0 2.0
97.0 6.3
98.0 1.6
102.0 10.4
103.0 1.0
115.0 20.5
116.0 1.2
127.0 7.3
130.0 55.4
131.0 4.1
143.0 8.9
157.0 2.5
172.0 7.3
173.0 1.2