| SpectraBase Compound ID | 4N2RD3v8fms |
|---|---|
| InChI | InChI=1S/C24H38O4/c1-3-5-7-9-10-12-14-20-28-24(26)22-17-15-21(16-18-22)23(25)27-19-13-11-8-6-4-2/h15-18H,3-14,19-20H2,1-2H3 |
| InChIKey | CECHXIKADRYSLI-UHFFFAOYSA-N |
| Mol Weight | 390.6 g/mol |
| Molecular Formula | C24H38O4 |
| Exact Mass | 390.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6dtuQ9UINwe |
|---|---|
| Name | Terephthalic acid, heptyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 390.277009700 u |
| Formula | C24H38O4 |
| InChI | InChI=1S/C24H38O4/c1-3-5-7-9-10-12-14-20-28-24(26)22-17-15-21(16-18-22)23(25)27-19-13-11-8-6-4-2/h15-18H,3-14,19-20H2,1-2H3 |
| InChIKey | CECHXIKADRYSLI-UHFFFAOYSA-N |
| Molecular Weight | 390.564 g/mol |
| SMILES | C1=CC(=CC=C1C(OCCCCCCC)=O)C(OCCCCCCCCC)=O |