| SpectraBase Compound ID | HXfUl8kOnr7 |
|---|---|
| InChI | InChI=1S/C19H30O3/c1-8-22-16(20)10-9-13-11-14(18(2,3)4)17(21)15(12-13)19(5,6)7/h11-12,21H,8-10H2,1-7H3 |
| InChIKey | ZCWSUZJGZZFSHM-UHFFFAOYSA-N |
| Mol Weight | 306.45 g/mol |
| Molecular Formula | C19H30O3 |
| Exact Mass | 306.219495 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HykLcdk4JQw |
|---|---|
| Name | Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.219494823 u |
| Formula | C19H30O3 |
| InChI | InChI=1S/C19H30O3/c1-8-22-16(20)10-9-13-11-14(18(2,3)4)17(21)15(12-13)19(5,6)7/h11-12,21H,8-10H2,1-7H3 |
| InChIKey | ZCWSUZJGZZFSHM-UHFFFAOYSA-N |
| SMILES | C1(=C(C=C(C=C1C(C)(C)C)CCC(OCC)=O)C(C)(C)C)O |