| SpectraBase Compound ID | 6adg2ygg23V |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-4-6-8-9-10-11-12-18(3)26-22(24)20-15-13-19(14-16-20)21(23)25-17-7-5-2/h13-16,18H,4-12,17H2,1-3H3 |
| InChIKey | DQLZQRFWSNIHCQ-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 | CthNxjq0VHU |
|---|---|
| Name | Terephthalic acid, butyl 2-decyl 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/c1-4-6-8-9-10-11-12-18(3)26-22(24)20-15-13-19(14-16-20)21(23)25-17-7-5-2/h13-16,18H,4-12,17H2,1-3H3 |
| InChIKey | DQLZQRFWSNIHCQ-UHFFFAOYSA-N |
| Molecular Weight | 362.510 g/mol |
| SMILES | C1=CC(=CC=C1C(OCCCC)=O)C(OC(CCCCCCCC)C)=O |