![(3S,4aR)-3-Ethyl-8-hydroxy-3,4,4a,5,6,7-hexahydrobenzo[c]pyranone](/api/spectrum/8NDUsskdRcT/structure.png?h=300&w=458 "(3S,4aR)-3-Ethyl-8-hydroxy-3,4,4a,5,6,7-hexahydrobenzo[c]pyranone")
| SpectraBase Compound ID | 8MXuVkhtd24 |
|---|---|
| InChI | InChI=1S/C11H16O3/c1-2-8-6-7-4-3-5-9(12)10(7)11(13)14-8/h7-8,12H,2-6H2,1H3/t7-,8+/m1/s1 |
| InChIKey | MKIRYUDGYGSMLP-SFYZADRCSA-N |
| Mol Weight | 196.25 g/mol |
| Molecular Formula | C11H16O3 |
| Exact Mass | 196.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8NDUsskdRcT |
|---|---|
| Name | (3S,4ar)-3-Ethyl-8-hydroxy-3,4,4A,5,6,7-hexahydrobenzo[C]pyranone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.109944372 u |
| Formula | C11H16O3 |
| InChI | InChI=1S/C11H16O3/c1-2-8-6-7-4-3-5-9(12)10(7)11(13)14-8/h7-8,12H,2-6H2,1H3/t7-,8+/m1/s1 |
| InChIKey | MKIRYUDGYGSMLP-SFYZADRCSA-N |
| Molecular Weight | 196.246 g/mol |
| SMILES | C=12C(O[C@](C[C@]2(CCCC1O)[H])(CC)[H])=O |