| SpectraBase Compound ID | HZtRWK1mGFF |
|---|---|
| InChI | InChI=1S/C23H36O4/c1-3-5-7-9-11-13-19-27-23(25)21-16-14-20(15-17-21)22(24)26-18-12-10-8-6-4-2/h14-17H,3-13,18-19H2,1-2H3 |
| InChIKey | WGRGZMDOQRCULN-UHFFFAOYSA-N |
| Mol Weight | 376.5 g/mol |
| Molecular Formula | C23H36O4 |
| Exact Mass | 376.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 930VTGcpeM |
|---|---|
| Name | Terephthalic acid, heptyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.261359635 u |
| Formula | C23H36O4 |
| InChI | InChI=1S/C23H36O4/c1-3-5-7-9-11-13-19-27-23(25)21-16-14-20(15-17-21)22(24)26-18-12-10-8-6-4-2/h14-17H,3-13,18-19H2,1-2H3 |
| InChIKey | WGRGZMDOQRCULN-UHFFFAOYSA-N |
| Molecular Weight | 376.537 g/mol |
| SMILES | C1=CC(=CC=C1C(OCCCCCCC)=O)C(OCCCCCCCC)=O |