| SpectraBase Compound ID | 9iH6ltZyh8G |
|---|---|
| InChI | InChI=1S/C20H30O5/c1-3-5-6-7-8-9-14-24-19(21)17-10-12-18(13-11-17)20(22)25-16-15-23-4-2/h10-13H,3-9,14-16H2,1-2H3 |
| InChIKey | ROUGNACBWLSYKQ-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 | D6HGrK22y2U |
|---|---|
| Name | Terephthalic 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/c1-3-5-6-7-8-9-14-24-19(21)17-10-12-18(13-11-17)20(22)25-16-15-23-4-2/h10-13H,3-9,14-16H2,1-2H3 |
| InChIKey | ROUGNACBWLSYKQ-UHFFFAOYSA-N |
| Molecular Weight | 350.455 g/mol |
| SMILES | CCCCCCCCOC(=O)C1=CC=C(C=C1)C(=O)OCCOCC |