| SpectraBase Compound ID | 4uzAa8zqAN |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-6-7-12-22-17(20)15-8-10-16(11-9-15)18(21)23-14(2)13-19(3,4)5/h8-11,14H,6-7,12-13H2,1-5H3 |
| InChIKey | LPLDQWUOWSCNHV-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 | Grmv4HwxMAV |
|---|---|
| Name | Terephthalic acid, butyl 4,4-dimethylpent-2-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/c1-6-7-12-22-17(20)15-8-10-16(11-9-15)18(21)23-14(2)13-19(3,4)5/h8-11,14H,6-7,12-13H2,1-5H3 |
| InChIKey | LPLDQWUOWSCNHV-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OCCCC)=O)C(=O)OC(C)CC(C)(C)C |