| SpectraBase Compound ID | AS3rleML9MX |
|---|---|
| InChI | InChI=1S/C22H40O2/c1-2-3-4-5-11-14-17-20-21(23)18-15-12-9-7-6-8-10-13-16-19-22(20)24/h20H,2-19H2,1H3 |
| InChIKey | MKUADOOXPJUVMJ-UHFFFAOYSA-N |
| Mol Weight | 336.6 g/mol |
| Molecular Formula | C22H40O2 |
| Exact Mass | 336.302831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2oCBWvN7ox3 |
|---|---|
| Name | 1,3-Cyclotetradecanedione, 2-octyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.302830526 u |
| Formula | C22H40O2 |
| InChI | InChI=1S/C22H40O2/c1-2-3-4-5-11-14-17-20-21(23)18-15-12-9-7-6-8-10-13-16-19-22(20)24/h20H,2-19H2,1H3 |
| InChIKey | MKUADOOXPJUVMJ-UHFFFAOYSA-N |
| Molecular Weight | 336.560 g/mol |
| SMILES | C(CCCCCCC)C1C(=O)CCCCCCCCCCCC1=O |