| SpectraBase Compound ID | L05CJw2XWxT |
|---|---|
| InChI | InChI=1S/C20H30O5/c1-3-24-19(21)10-8-6-4-5-7-9-11-20(22)25-16-17-12-14-18(23-2)15-13-17/h12-15H,3-11,16H2,1-2H3 |
| InChIKey | DTOXYHHCVMWSQT-UHFFFAOYSA-N |
| Mol Weight | 350.46 g/mol |
| Molecular Formula | C20H30O5 |
| Exact Mass | 350.209324 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7Ob5Rb67B0G |
|---|---|
| Name | Sebacic acid, ethyl 4-methoxybenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.209324061 u |
| Formula | C20H30O5 |
| InChI | InChI=1S/C20H30O5/c1-3-24-19(21)10-8-6-4-5-7-9-11-20(22)25-16-17-12-14-18(23-2)15-13-17/h12-15H,3-11,16H2,1-2H3 |
| InChIKey | DTOXYHHCVMWSQT-UHFFFAOYSA-N |
| Molecular Weight | 350.455 g/mol |
| SMILES | C(CCCCCCC(OCC1=CC=C(OC)C=C1)=O)CC(OCC)=O |