| SpectraBase Compound ID | J9Lbb1EMY8g |
|---|---|
| InChI | InChI=1S/C25H40O4/c1-4-7-9-10-11-12-13-14-20-28-24(26)21-16-18-22(19-17-21)25(27)29-23(6-3)15-8-5-2/h16-19,23H,4-15,20H2,1-3H3 |
| InChIKey | XFIMDIXXYJSMDD-UHFFFAOYSA-N |
| Mol Weight | 404.6 g/mol |
| Molecular Formula | C25H40O4 |
| Exact Mass | 404.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JqKJeEMI0qN |
|---|---|
| Name | Terephthalic acid, decyl hept-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 404.292659764 u |
| Formula | C25H40O4 |
| InChI | InChI=1S/C25H40O4/c1-4-7-9-10-11-12-13-14-20-28-24(26)21-16-18-22(19-17-21)25(27)29-23(6-3)15-8-5-2/h16-19,23H,4-15,20H2,1-3H3 |
| InChIKey | XFIMDIXXYJSMDD-UHFFFAOYSA-N |
| Molecular Weight | 404.591 g/mol |
| SMILES | C1=C(C=CC(=C1)C(OCCCCCCCCCC)=O)C(OC(CC)CCCC)=O |