| SpectraBase Compound ID | FWX5uP9uL8T |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-5-7-8-9-14-23-19(21)16-10-12-17(13-11-16)20(22)24-18(6-2)15(3)4/h10-13,15,18H,5-9,14H2,1-4H3 |
| InChIKey | LSTXIBVIOBXFIA-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 | D0wn3VOofqR |
|---|---|
| Name | Terephthalic acid, hexyl 2-methylpent-3-yl 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/c1-5-7-8-9-14-23-19(21)16-10-12-17(13-11-16)20(22)24-18(6-2)15(3)4/h10-13,15,18H,5-9,14H2,1-4H3 |
| InChIKey | LSTXIBVIOBXFIA-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | C(C(OC(C1=CC=C(C(OCCCCCC)=O)C=C1)=O)CC)(C)C |