| SpectraBase Compound ID | BglstVFt7zV |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-4-7-8-15-23-19(21)16-11-13-17(14-12-16)20(22)24-18(9-5-2)10-6-3/h11-14,18H,4-10,15H2,1-3H3 |
| InChIKey | VLWFMKHSIGDSDA-UHFFFAOYSA-N |
| Mol Weight | 334.46 g/mol |
| Molecular Formula | C20H30O4 |
| Exact Mass | 334.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Q44NRtCisP |
|---|---|
| Name | Terephthalic acid, 4-heptyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.214409442 u |
| Formula | C20H30O4 |
| InChI | InChI=1S/C20H30O4/c1-4-7-8-15-23-19(21)16-11-13-17(14-12-16)20(22)24-18(9-5-2)10-6-3/h11-14,18H,4-10,15H2,1-3H3 |
| InChIKey | VLWFMKHSIGDSDA-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | C1=C(C=CC(=C1)C(OC(CCC)CCC)=O)C(OCCCCC)=O |