| SpectraBase Compound ID | Hyznrka6uSE |
|---|---|
| InChI | InChI=1S/C22H34O6/c1-4-5-17-27-20(23)15-10-8-6-7-9-11-16-21(24)28-22-18(25-2)13-12-14-19(22)26-3/h12-14H,4-11,15-17H2,1-3H3 |
| InChIKey | IVOMTCLFYAWFAG-UHFFFAOYSA-N |
| Mol Weight | 394.5 g/mol |
| Molecular Formula | C22H34O6 |
| Exact Mass | 394.235539 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HY3FiwLgbVX |
|---|---|
| Name | Sebacic acid, butyl 2,6-dimethoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 394.235538809 u |
| Formula | C22H34O6 |
| InChI | InChI=1S/C22H34O6/c1-4-5-17-27-20(23)15-10-8-6-7-9-11-16-21(24)28-22-18(25-2)13-12-14-19(22)26-3/h12-14H,4-11,15-17H2,1-3H3 |
| InChIKey | IVOMTCLFYAWFAG-UHFFFAOYSA-N |
| Molecular Weight | 394.508 g/mol |
| SMILES | C(CCCCC(OC1=C(OC)C=CC=C1OC)=O)CCCC(OCCCC)=O |