| SpectraBase Compound ID | 8ePtgtUgBw |
|---|---|
| InChI | InChI=1S/C21H34O5/c1-5-6-7-12-21(2,3)18-8-10-19(11-9-18)26-16-15-24-13-14-25-17-20(22)23-4/h8-11H,5-7,12-17H2,1-4H3 |
| InChIKey | FUSSVBHONWUFNX-UHFFFAOYSA-N |
| Mol Weight | 366.5 g/mol |
| Molecular Formula | C21H34O5 |
| Exact Mass | 366.240624 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KGMuQWvS85R |
|---|---|
| Name | Op3Ec |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.240624190 u |
| Formula | C21H34O5 |
| InChI | InChI=1S/C21H34O5/c1-5-6-7-12-21(2,3)18-8-10-19(11-9-18)26-16-15-24-13-14-25-17-20(22)23-4/h8-11H,5-7,12-17H2,1-4H3 |
| InChIKey | FUSSVBHONWUFNX-UHFFFAOYSA-N |
| Molecular Weight | 366.498 g/mol |
| SMILES | C(C=1C=CC(=CC1)OCCOCCOCC(=O)OC)(CCCCC)(C)C |