| SpectraBase Compound ID | Dk3nInAti0z |
|---|---|
| InChI | InChI=1S/C13H24O/c1-2-3-5-8-12-9-6-4-7-10-13(14)11-12/h12H,2-11H2,1H3 |
| InChIKey | YVULTJZDXVSULT-UHFFFAOYSA-N |
| Mol Weight | 196.33 g/mol |
| Molecular Formula | C13H24O |
| Exact Mass | 196.182715 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E2nIf4IWrNE |
|---|---|
| Name | 3-Pentylcyclooctanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.182715392 u |
| Formula | C13H24O |
| InChI | InChI=1S/C13H24O/c1-2-3-5-8-12-9-6-4-7-10-13(14)11-12/h12H,2-11H2,1H3 |
| InChIKey | YVULTJZDXVSULT-UHFFFAOYSA-N |
| Molecular Weight | 196.334 g/mol |
| SMILES | C1(=O)CC(CCCCC)CCCCC1 |