| SpectraBase Compound ID | Kh4kvR2gmP8 |
|---|---|
| InChI | InChI=1S/C13H22O3/c14-12-8-6-4-2-1-3-5-7-11-16-13(15)10-9-12/h1-11H2 |
| InChIKey | KCURHWDPXQDOGM-UHFFFAOYSA-N |
| Mol Weight | 226.32 g/mol |
| Molecular Formula | C13H22O3 |
| Exact Mass | 226.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 97dOFBcDjw9 |
|---|---|
| Name | Oxacyclotetradecane-2,5-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.156894565 u |
| Formula | C13H22O3 |
| InChI | InChI=1S/C13H22O3/c14-12-8-6-4-2-1-3-5-7-11-16-13(15)10-9-12/h1-11H2 |
| InChIKey | KCURHWDPXQDOGM-UHFFFAOYSA-N |
| Molecular Weight | 226.316 g/mol |
| SMILES | C1(OCCCCCCCCCC(CC1)=O)=O |