| SpectraBase Compound ID | FgvdbWbFUoZ |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-6-8-13-22-17(20)14-9-11-15(12-10-14)18(21)23-16(7-2)19(3,4)5/h9-12,16H,6-8,13H2,1-5H3 |
| InChIKey | GKZMTNQWLQQSJD-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 | 2qYzw0mFWP3 |
|---|---|
| Name | Terephthalic acid, butyl 4,4-dimethylpent-3-yl 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/c1-6-8-13-22-17(20)14-9-11-15(12-10-14)18(21)23-16(7-2)19(3,4)5/h9-12,16H,6-8,13H2,1-5H3 |
| InChIKey | GKZMTNQWLQQSJD-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OCCCC)=O)C(=O)OC(C(C)(C)C)CC |