| SpectraBase Compound ID | 8ebTETpisB |
|---|---|
| InChI | InChI=1S/C21H32O4/c1-3-5-7-9-11-17-25-21(23)19-14-12-18(13-15-19)20(22)24-16-10-8-6-4-2/h12-15H,3-11,16-17H2,1-2H3 |
| InChIKey | PSUOJCRLHIWFDY-UHFFFAOYSA-N |
| Mol Weight | 348.5 g/mol |
| Molecular Formula | C21H32O4 |
| Exact Mass | 348.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KuYxlto36HQ |
|---|---|
| Name | Terephthalic acid, heptyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.230059506 u |
| Formula | C21H32O4 |
| InChI | InChI=1S/C21H32O4/c1-3-5-7-9-11-17-25-21(23)19-14-12-18(13-15-19)20(22)24-16-10-8-6-4-2/h12-15H,3-11,16-17H2,1-2H3 |
| InChIKey | PSUOJCRLHIWFDY-UHFFFAOYSA-N |
| Molecular Weight | 348.483 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OCCCCCCC)=O)C(OCCCCCC)=O |