| SpectraBase Compound ID | 1iCXYOkfdDP |
|---|---|
| InChI | InChI=1S/C24H34O6/c1-14-9-11-24(28)19(8-7-10-22(24,3)4)23(14,5)13-16-20(27)18(29-6)12-17(26)21(16)30-15(2)25/h12,14,19,28H,7-11,13H2,1-6H3 |
| InChIKey | WBSNKKVNVCXGOK-UHFFFAOYSA-N |
| Mol Weight | 418.5 g/mol |
| Molecular Formula | C24H34O6 |
| Exact Mass | 418.235539 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JUupDujNUiv |
|---|---|
| Name | Hyatoquinone - acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 418.235538809 u |
| Formula | C24H34O6 |
| InChI | InChI=1S/C24H34O6/c1-14-9-11-24(28)19(8-7-10-22(24,3)4)23(14,5)13-16-20(27)18(29-6)12-17(26)21(16)30-15(2)25/h12,14,19,28H,7-11,13H2,1-6H3 |
| InChIKey | WBSNKKVNVCXGOK-UHFFFAOYSA-N |
| Molecular Weight | 418.530 g/mol |
| SMILES | C1(=C(C(=O)C=C(C1=O)OC)OC(=O)C)CC1(C2C(C(C)(C)CCC2)(O)CCC1C)C |