| SpectraBase Compound ID | FpovsjQbvdZ |
|---|---|
| InChI | InChI=1S/C20H34O4/c1-3-5-6-7-8-9-12-16-24-20(22)18-14-11-10-13-17(18)19(21)23-15-4-2/h4,17-18H,2-3,5-16H2,1H3 |
| InChIKey | RTQICOOLQBUXRU-UHFFFAOYSA-N |
| Mol Weight | 338.5 g/mol |
| Molecular Formula | C20H34O4 |
| Exact Mass | 338.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EYiQENhlaX8 |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, allyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.245709571 u |
| Formula | C20H34O4 |
| InChI | InChI=1S/C20H34O4/c1-3-5-6-7-8-9-12-16-24-20(22)18-14-11-10-13-17(18)19(21)23-15-4-2/h4,17-18H,2-3,5-16H2,1H3 |
| InChIKey | RTQICOOLQBUXRU-UHFFFAOYSA-N |
| Molecular Weight | 338.488 g/mol |
| SMILES | C1(CCCCC1C(OCCCCCCCCC)=O)C(=O)OCC=C |