| SpectraBase Compound ID | Dx861ZRED0f |
|---|---|
| InChI | InChI=1S/C14H24O2/c15-11-7-2-1-4-8-13-9-5-3-6-10-14(16)12-13/h11,13H,1-10,12H2 |
| InChIKey | ADRRCTXTLOBNLA-UHFFFAOYSA-N |
| Mol Weight | 224.34 g/mol |
| Molecular Formula | C14H24O2 |
| Exact Mass | 224.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7HmguGlPWmw |
|---|---|
| Name | Cyclooctanehexanal, 3-oxo- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.177630011 u |
| Formula | C14H24O2 |
| InChI | InChI=1S/C14H24O2/c15-11-7-2-1-4-8-13-9-5-3-6-10-14(16)12-13/h11,13H,1-10,12H2 |
| InChIKey | ADRRCTXTLOBNLA-UHFFFAOYSA-N |
| Molecular Weight | 224.344 g/mol |
| SMILES | C1(=O)CC(CCCCCC=O)CCCCC1 |