| SpectraBase Compound ID | 9spfEo13oHu |
|---|---|
| InChI | InChI=1S/C15H22O3/c1-10-4-3-5-12(9-16)8-14-13(7-6-10)11(2)15(17)18-14/h4,8,11,13-14,16H,3,5-7,9H2,1-2H3/b10-4-,12-8-/t11?,13-,14+/m0/s1 |
| InChIKey | JWJOVYZAXACWBK-WURCWZLCSA-N |
| Mol Weight | 250.34 g/mol |
| Molecular Formula | C15H22O3 |
| Exact Mass | 250.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8bUbt9iblDt |
|---|---|
| Name | Germacranolide isomer |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.156894565 u |
| Formula | C15H22O3 |
| InChI | InChI=1S/C15H22O3/c1-10-4-3-5-12(9-16)8-14-13(7-6-10)11(2)15(17)18-14/h4,8,11,13-14,16H,3,5-7,9H2,1-2H3/b10-4-,12-8-/t11?,13-,14+/m0/s1 |
| InChIKey | JWJOVYZAXACWBK-WURCWZLCSA-N |
| Molecular Weight | 250.338 g/mol |
| SMILES | C1(O[C@@]2(\C=C/(CO)CC\C=C/(CC[C@]2(C1C)[H])C)[H])=O |