| SpectraBase Compound ID | 35AAqCxLDpc |
|---|---|
| InChI | InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-13-19-23-21(22)18-14-17-20-15-11-10-12-16-20/h10-12,15-16H,2-9,13-14,17-19H2,1H3 |
| InChIKey | KPFWOXDSMWLIMK-UHFFFAOYSA-N |
| Mol Weight | 318.5 g/mol |
| Molecular Formula | C21H34O2 |
| Exact Mass | 318.25588 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3VnvaCtHLjU |
|---|---|
| Name | Butyric acid, 4-phenyl-, undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.255880333 u |
| Formula | C21H34O2 |
| InChI | InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-13-19-23-21(22)18-14-17-20-15-11-10-12-16-20/h10-12,15-16H,2-9,13-14,17-19H2,1H3 |
| InChIKey | KPFWOXDSMWLIMK-UHFFFAOYSA-N |
| Molecular Weight | 318.501 g/mol |
| SMILES | C(CCCC=1C=CC=CC1)(OCCCCCCCCCCC)=O |