| SpectraBase Compound ID | EcDTLYKIOIY |
|---|---|
| InChI | InChI=1S/C11H20O4/c1-2-3-4-5-9(13)10-8(6-12)7-15-11(10)14/h8-10,12-13H,2-7H2,1H3/t8-,9-,10-/m1/s1 |
| InChIKey | ONFPUQOPHZOEKF-OPRDCNLKSA-N |
| Mol Weight | 216.28 g/mol |
| Molecular Formula | C11H20O4 |
| Exact Mass | 216.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EbjJGZYpBbA |
|---|---|
| Name | Virginiae butanolide C |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.136159120 u |
| Formula | C11H20O4 |
| InChI | InChI=1S/C11H20O4/c1-2-3-4-5-9(13)10-8(6-12)7-15-11(10)14/h8-10,12-13H,2-7H2,1H3/t8-,9-,10-/m1/s1 |
| InChIKey | ONFPUQOPHZOEKF-OPRDCNLKSA-N |
| Molecular Weight | 216.277 g/mol |
| SMILES | C1([C@]([C@@](CO1)(CO)[H])([C@@](CCCCC)(O)[H])[H])=O |