![Phen-1,3,5-triol, 2-[3-oxo-tetradecanoyl]-](/api/spectrum/5vp5vsE8zeW/structure.png?h=300&w=458 "Phen-1,3,5-triol, 2-[3-oxo-tetradecanoyl]-")
| SpectraBase Compound ID | 5HEZrvcyP9 |
|---|---|
| InChI | InChI=1S/C20H30O5/c1-2-3-4-5-6-7-8-9-10-11-15(21)12-17(23)20-18(24)13-16(22)14-19(20)25/h13-14,22,24-25H,2-12H2,1H3 |
| InChIKey | KJJJWMGEQCZZRC-UHFFFAOYSA-N |
| Mol Weight | 350.46 g/mol |
| Molecular Formula | C20H30O5 |
| Exact Mass | 350.209324 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5vp5vsE8zeW |
|---|---|
| Name | Phen-1,3,5-triol, 2-[3-oxo-tetradecanoyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.209324061 u |
| Formula | C20H30O5 |
| InChI | InChI=1S/C20H30O5/c1-2-3-4-5-6-7-8-9-10-11-15(21)12-17(23)20-18(24)13-16(22)14-19(20)25/h13-14,22,24-25H,2-12H2,1H3 |
| InChIKey | KJJJWMGEQCZZRC-UHFFFAOYSA-N |
| Molecular Weight | 350.455 g/mol |
| SMILES | C1(=C(C(=CC(=C1)O)O)C(CC(CCCCCCCCCCC)=O)=O)O |