| SpectraBase Compound ID | KwqS7f3DRI2 |
|---|---|
| InChI | InChI=1S/C19H28O5/c1-3-4-5-6-7-8-13-23-18(20)16-9-11-17(12-10-16)19(21)24-15-14-22-2/h9-12H,3-8,13-15H2,1-2H3 |
| InChIKey | JSYQWRVOOOMIPL-UHFFFAOYSA-N |
| Mol Weight | 336.43 g/mol |
| Molecular Formula | C19H28O5 |
| Exact Mass | 336.193674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EgTTAfhJbwi |
|---|---|
| Name | Terephthalic acid, 2-methoxyethyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.193673997 u |
| Formula | C19H28O5 |
| InChI | InChI=1S/C19H28O5/c1-3-4-5-6-7-8-13-23-18(20)16-9-11-17(12-10-16)19(21)24-15-14-22-2/h9-12H,3-8,13-15H2,1-2H3 |
| InChIKey | JSYQWRVOOOMIPL-UHFFFAOYSA-N |
| Molecular Weight | 336.428 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OCCCCCCCC)=O)C(OCCOC)=O |