![Phen-1,3,5-triol, 2-[3-oxo-dodecanoyl]-](/api/spectrum/3laIF3DhlO0/structure.png?h=300&w=458 "Phen-1,3,5-triol, 2-[3-oxo-dodecanoyl]-")
| SpectraBase Compound ID | Xjq3aCbog0 |
|---|---|
| InChI | InChI=1S/C18H26O5/c1-2-3-4-5-6-7-8-9-13(19)10-15(21)18-16(22)11-14(20)12-17(18)23/h11-12,20,22-23H,2-10H2,1H3 |
| InChIKey | VWQIMTPOWSXEQL-UHFFFAOYSA-N |
| Mol Weight | 322.4 g/mol |
| Molecular Formula | C18H26O5 |
| Exact Mass | 322.178024 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3laIF3DhlO0 |
|---|---|
| Name | Phen-1,3,5-triol, 2-[3-oxo-dodecanoyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.178023932 u |
| Formula | C18H26O5 |
| InChI | InChI=1S/C18H26O5/c1-2-3-4-5-6-7-8-9-13(19)10-15(21)18-16(22)11-14(20)12-17(18)23/h11-12,20,22-23H,2-10H2,1H3 |
| InChIKey | VWQIMTPOWSXEQL-UHFFFAOYSA-N |
| Molecular Weight | 322.401 g/mol |
| SMILES | C1(=C(C(=CC(=C1)O)O)C(CC(CCCCCCCCC)=O)=O)O |