Product Nameε-Caprolactone
CAS502-44-3
Molecular FormulaC6H10O2
Molecular Weight114.14
InChIInChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2
InChIKey PAPBSGBWRJIAAV-UHFFFAOYSA-N
SmilesO1CCCCCC1=O

Mass
MS-NW-0859 6-hexanolide C6H10O2 (Mass of molecular ion: 114)
Source Temperature: 280 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 2.2
26.0 4.8
27.0 22.7
28.0 26.4
29.0 13.7
31.0 1.9
38.0 2.4
39.0 21.0
40.0 6.8
41.0 49.9
42.0 100.0
43.0 5.0
44.0 1.4
50.0 1.2
51.0 1.4
53.0 3.1
54.0 1.8
55.0 96.6
56.0 30.2
57.0 4.7
67.0 4.1
68.0 2.0
69.0 1.1
70.0 21.4
71.0 1.3
83.0 1.9
84.0 44.1
85.0 3.2
114.0 20.9
115.0 1.6
in CDCl3

CCl4 solution

KBr disc

liquid film

nujol mull

ε-Caprolactone(502-44-3) IR3 Atlas of Related Products
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