| SpectraBase Compound ID | C2T7A8TD0G3 |
|---|---|
| InChI | InChI=1S/C27H44O4/c1-3-5-7-9-11-13-15-17-23-31-27(29)25-20-18-24(19-21-25)26(28)30-22-16-14-12-10-8-6-4-2/h18-21H,3-17,22-23H2,1-2H3 |
| InChIKey | AZHPUOXVJANVQO-UHFFFAOYSA-N |
| Mol Weight | 432.6 g/mol |
| Molecular Formula | C27H44O4 |
| Exact Mass | 432.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2UO6mgnqQXl |
|---|---|
| Name | Terephthalic acid, decyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 432.323959893 u |
| Formula | C27H44O4 |
| InChI | InChI=1S/C27H44O4/c1-3-5-7-9-11-13-15-17-23-31-27(29)25-20-18-24(19-21-25)26(28)30-22-16-14-12-10-8-6-4-2/h18-21H,3-17,22-23H2,1-2H3 |
| InChIKey | AZHPUOXVJANVQO-UHFFFAOYSA-N |
| Molecular Weight | 432.645 g/mol |
| SMILES | C1=C(C=CC(=C1)C(OCCCCCCCCC)=O)C(OCCCCCCCCCC)=O |