| SpectraBase Compound ID | FXBb2OBFuXq |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-4-6-7-8-13-22-18(20)16-9-11-17(12-10-16)19(21)23-14-15(3)5-2/h9-12,15H,4-8,13-14H2,1-3H3 |
| InChIKey | IPKGBLPOPRRPSB-UHFFFAOYSA-N |
| Mol Weight | 320.43 g/mol |
| Molecular Formula | C19H28O4 |
| Exact Mass | 320.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GeEXoAYN0nk |
|---|---|
| Name | Terephthalic acid, hexyl 2-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.198759378 u |
| Formula | C19H28O4 |
| InChI | InChI=1S/C19H28O4/c1-4-6-7-8-13-22-18(20)16-9-11-17(12-10-16)19(21)23-14-15(3)5-2/h9-12,15H,4-8,13-14H2,1-3H3 |
| InChIKey | IPKGBLPOPRRPSB-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | C(COC(C1=CC=C(C=C1)C(OCCCCCC)=O)=O)(CC)C |