| SpectraBase Compound ID | IbhFzVriQ07 |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-5-7-10-18(6-2)16-26-22(24)20-13-11-19(12-14-20)21(23)25-15-8-9-17(3)4/h11-14,17-18H,5-10,15-16H2,1-4H3 |
| InChIKey | VHMXLFJTJDHTPH-UHFFFAOYSA-N |
| Mol Weight | 362.5 g/mol |
| Molecular Formula | C22H34O4 |
| Exact Mass | 362.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kthld8boMHU |
|---|---|
| Name | Terephthalic acid, 2-ethylhexyl isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.245709571 u |
| Formula | C22H34O4 |
| InChI | InChI=1S/C22H34O4/c1-5-7-10-18(6-2)16-26-22(24)20-13-11-19(12-14-20)21(23)25-15-8-9-17(3)4/h11-14,17-18H,5-10,15-16H2,1-4H3 |
| InChIKey | VHMXLFJTJDHTPH-UHFFFAOYSA-N |
| Molecular Weight | 362.510 g/mol |
| SMILES | C(OCCCC(C)C)(=O)C1=CC=C(C=C1)C(=O)OCC(CC)CCCC |