| SpectraBase Compound ID | FNFCrAiWPzo |
|---|---|
| InChI | InChI=1S/C12H18O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h7,9,11H,2-6,8H2,1H3/t9-,11?/m1/s1 |
| InChIKey | UPJFTVFLSIQQAV-BFHBGLAWSA-N |
| Mol Weight | 194.27 g/mol |
| Molecular Formula | C12H18O2 |
| Exact Mass | 194.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D1y8d2VslV0 |
|---|---|
| Name | (3R*,3ar*)-Sedanolide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.130679818 u |
| Formula | C12H18O2 |
| InChI | InChI=1S/C12H18O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h7,9,11H,2-6,8H2,1H3/t9-,11?/m1/s1 |
| InChIKey | UPJFTVFLSIQQAV-BFHBGLAWSA-N |
| Molecular Weight | 194.274 g/mol |
| SMILES | C1(C=2[C@](CCCC2)([H])C(O1)CCCC)=O |