| SpectraBase Spectrum ID |
Lr3iywQIje9 |
| Name |
2-Oxepanone |
| CAS Registry Number |
502-44-3 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
114.068079560 u |
| Formula |
C6H10O2 |
| InChI |
InChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2 |
| InChIKey |
PAPBSGBWRJIAAV-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
114.144 g/mol |
| Nominal Mass |
114 u |
| Quality |
841 |
| Retention Index |
819 |
| SMILES |
C1(OCCCCC1)=O |
| SPLASH |
splash10-0a4l-9000000000-b68f96b25b1a62237eff |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
e-Caprolactone
oxepan-2-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_025384 |
