| SpectraBase Compound ID | 11q7adzHSJq |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-3-5-7-9-11-16-21(23)25-19-14-13-15-20(18-19)26-22(24)17-12-10-8-6-4-2/h13-15,18H,3-12,16-17H2,1-2H3 |
| InChIKey | WLAZNXJXYPQQDF-UHFFFAOYSA-N |
| Mol Weight | 362.5 g/mol |
| Molecular Formula | C22H34O4 |
| Exact Mass | 362.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1iZ4zADS0Vh |
|---|---|
| Name | 1,3-Benzenediol, o,o'-dioctanoyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.245709571 u |
| Formula | C22H34O4 |
| InChI | InChI=1S/C22H34O4/c1-3-5-7-9-11-16-21(23)25-19-14-13-15-20(18-19)26-22(24)17-12-10-8-6-4-2/h13-15,18H,3-12,16-17H2,1-2H3 |
| InChIKey | WLAZNXJXYPQQDF-UHFFFAOYSA-N |
| Molecular Weight | 362.510 g/mol |
| SMILES | C1(=CC(=CC=C1)OC(CCCCCCC)=O)OC(CCCCCCC)=O |