| SpectraBase Compound ID | 6syvWklLH7Y |
|---|---|
| InChI | InChI=1S/C20H30O5/c1-3-5-6-7-8-9-13-24-19(21)17-11-10-12-18(16-17)20(22)25-15-14-23-4-2/h10-12,16H,3-9,13-15H2,1-2H3 |
| InChIKey | LLPCCAQWIPZIFF-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 | 1iZ9fSxYM52 |
|---|---|
| Name | Isophthalic acid, 2-ethoxyethyl octyl 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/c1-3-5-6-7-8-9-13-24-19(21)17-11-10-12-18(16-17)20(22)25-15-14-23-4-2/h10-12,16H,3-9,13-15H2,1-2H3 |
| InChIKey | LLPCCAQWIPZIFF-UHFFFAOYSA-N |
| Molecular Weight | 350.455 g/mol |
| SMILES | C1(=CC(=CC=C1)C(OCCOCC)=O)C(OCCCCCCCC)=O |