| SpectraBase Compound ID | 5QCZ0bVWSvT |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-5-7-8-16(6-2)14-24-20(22)18-11-9-17(10-12-18)19(21)23-13-15(3)4/h9-12,15-16H,5-8,13-14H2,1-4H3 |
| InChIKey | CHBSYWSVNSTLLP-UHFFFAOYSA-N |
| Mol Weight | 334.46 g/mol |
| Molecular Formula | C20H30O4 |
| Exact Mass | 334.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DcfdLYs7AMi |
|---|---|
| Name | Terephthalic acid, 2-ethylhexyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.214409442 u |
| Formula | C20H30O4 |
| InChI | InChI=1S/C20H30O4/c1-5-7-8-16(6-2)14-24-20(22)18-11-9-17(10-12-18)19(21)23-13-15(3)4/h9-12,15-16H,5-8,13-14H2,1-4H3 |
| InChIKey | CHBSYWSVNSTLLP-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | CC(COC(=O)C1=CC=C(C=C1)C(=O)OCC(CCCC)CC)C |