| SpectraBase Compound ID | F4Al3Y6DOed |
|---|---|
| InChI | InChI=1S/C20H26O2/c1-12(21)18-7-8-19-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h7,11,15-17,19H,3-6,8-10H2,1-2H3 |
| InChIKey | UNULTKSFQCSKHR-UHFFFAOYSA-N |
| Mol Weight | 298.43 g/mol |
| Molecular Formula | C20H26O2 |
| Exact Mass | 298.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gcd0glPpiQw |
|---|---|
| Name | Gestonorone -H2O P898 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.193280075 u |
| Formula | C20H26O2 |
| InChI | InChI=1S/C20H26O2/c1-12(21)18-7-8-19-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h7,11,15-17,19H,3-6,8-10H2,1-2H3 |
| InChIKey | UNULTKSFQCSKHR-UHFFFAOYSA-N |
| SMILES | C1=C(C2(C(C1)C1CCC3=CC(CCC3C1CC2)=O)C)C(C)=O |