| SpectraBase Compound ID | KuDhj0mv5Tm |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-5-7-11-20(9-6-2)26-22(24)19-14-12-18(13-15-19)21(23)25-16-8-10-17(3)4/h12-15,17,20H,5-11,16H2,1-4H3 |
| InChIKey | LTNLBCOPKOTUJW-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 | 9FPvQ8zRO9t |
|---|---|
| Name | Terephthalic acid, isohexyl 4-octyl 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/c1-5-7-11-20(9-6-2)26-22(24)19-14-12-18(13-15-19)21(23)25-16-8-10-17(3)4/h12-15,17,20H,5-11,16H2,1-4H3 |
| InChIKey | LTNLBCOPKOTUJW-UHFFFAOYSA-N |
| Molecular Weight | 362.510 g/mol |
| SMILES | C1=CC(=CC=C1C(OC(CCCC)CCC)=O)C(OCCCC(C)C)=O |