| SpectraBase Compound ID | 6z6nJ3mIelI |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-5-6-7-8-13-23-19(21)17-9-11-18(12-10-17)20(22)24-16(4)14-15(2)3/h9-12,15-16H,5-8,13-14H2,1-4H3 |
| InChIKey | IAZOTEPVAJVJMA-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 | GG35lNyyfu5 |
|---|---|
| Name | Terephthalic acid, hexyl 4-methylpent-2-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/c1-5-6-7-8-13-23-19(21)17-9-11-18(12-10-17)20(22)24-16(4)14-15(2)3/h9-12,15-16H,5-8,13-14H2,1-4H3 |
| InChIKey | IAZOTEPVAJVJMA-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | C1=C(C=CC(=C1)C(OCCCCCC)=O)C(OC(C)CC(C)C)=O |