| SpectraBase Compound ID | Ff9CFtFkJGR |
|---|---|
| InChI | InChI=1S/C15H20O5/c1-7-3-4-9-13(20-14(18)15(9,2)19)12-8(6-16)5-10(17)11(7)12/h5,7,9,11-13,16,19H,3-4,6H2,1-2H3/t7-,9+,11+,12?,13-,15+/m0/s1 |
| InChIKey | FJZPPCNENYYPMA-NGLDBZIASA-N |
| Mol Weight | 280.32 g/mol |
| Molecular Formula | C15H20O5 |
| Exact Mass | 280.131074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8tT2zXlhPOl |
|---|---|
| Name | 11.beta.,15-Dihydroxy-2-oxo-6.beta.H-13-nor-guaia-3-ene-11,6-carbolactone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.131073739 u |
| Formula | C15H20O5 |
| InChI | InChI=1S/C15H20O5/c1-7-3-4-9-13(20-14(18)15(9,2)19)12-8(6-16)5-10(17)11(7)12/h5,7,9,11-13,16,19H,3-4,6H2,1-2H3/t7-,9+,11+,12?,13-,15+/m0/s1 |
| InChIKey | FJZPPCNENYYPMA-NGLDBZIASA-N |
| SMILES | [C@]12(C3C(=CC([C@]3([C@@](C)(CC[C@]1([C@](O)(C)C(O2)=O)[H])[H])[H])=O)CO)[H] |