| SpectraBase Compound ID | CeAbuxMmtKB |
|---|---|
| InChI | InChI=1S/C18H30O2/c19-17-11-7-3-1-5-9-15(17)13-14-16-10-6-2-4-8-12-18(16)20/h15-16H,1-14H2 |
| InChIKey | NYBSPPCRKRIDKU-UHFFFAOYSA-N |
| Mol Weight | 278.44 g/mol |
| Molecular Formula | C18H30O2 |
| Exact Mass | 278.22458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E1LRGHAOiKK |
|---|---|
| Name | 1,2-Dicyclooctan-2-one-1-ylethane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.224580204 u |
| Formula | C18H30O2 |
| InChI | InChI=1S/C18H30O2/c19-17-11-7-3-1-5-9-15(17)13-14-16-10-6-2-4-8-12-18(16)20/h15-16H,1-14H2 |
| InChIKey | NYBSPPCRKRIDKU-UHFFFAOYSA-N |
| SMILES | C1(=O)C(CCC2C(=O)CCCCCC2)CCCCCC1 |