| SpectraBase Compound ID | CNqS5AjLYpf |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-3-5-7-9-11-17-21(23)25-19-15-13-14-16-20(19)26-22(24)18-12-10-8-6-4-2/h13-16H,3-12,17-18H2,1-2H3 |
| InChIKey | IXRQGRTZFFNCSE-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 | A6OcVdbi1IA |
|---|---|
| Name | 1,2-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/c1-3-5-7-9-11-17-21(23)25-19-15-13-14-16-20(19)26-22(24)18-12-10-8-6-4-2/h13-16H,3-12,17-18H2,1-2H3 |
| InChIKey | IXRQGRTZFFNCSE-UHFFFAOYSA-N |
| Molecular Weight | 362.510 g/mol |
| SMILES | C1(=CC=CC=C1OC(CCCCCCC)=O)OC(CCCCCCC)=O |