| SpectraBase Compound ID | 8l4D5biWbvA |
|---|---|
| InChI | InChI=1S/C27H44O4/c1-4-6-8-10-12-14-16-22-30-26(28)24-18-20-25(21-19-24)27(29)31-23(3)17-15-13-11-9-7-5-2/h18-21,23H,4-17,22H2,1-3H3 |
| InChIKey | GPWXTJHZJKZALX-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 | BVMytZia4hx |
|---|---|
| Name | Terephthalic acid, 2-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/c1-4-6-8-10-12-14-16-22-30-26(28)24-18-20-25(21-19-24)27(29)31-23(3)17-15-13-11-9-7-5-2/h18-21,23H,4-17,22H2,1-3H3 |
| InChIKey | GPWXTJHZJKZALX-UHFFFAOYSA-N |
| Molecular Weight | 432.645 g/mol |
| SMILES | C1=CC(=CC=C1C(OCCCCCCCCC)=O)C(OC(CCCCCCCC)C)=O |