| SpectraBase Compound ID | Dvy0SaIAMJU |
|---|---|
| InChI | InChI=1S/C15H20O3/c1-9(2)12-6-4-10(3)13(16)7-5-11-8-14(12)18-15(11)17/h8,12-14,16H,1,3-7H2,2H3/t12-,13?,14-/m1/s1 |
| InChIKey | AHRAJHROHXBDAF-WYAMFQBQSA-N |
| Mol Weight | 248.32 g/mol |
| Molecular Formula | C15H20O3 |
| Exact Mass | 248.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4RJSlE9Gbk4 |
|---|---|
| Name | Madolin U |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.141244501 u |
| Formula | C15H20O3 |
| InChI | InChI=1S/C15H20O3/c1-9(2)12-6-4-10(3)13(16)7-5-11-8-14(12)18-15(11)17/h8,12-14,16H,1,3-7H2,2H3/t12-,13?,14-/m1/s1 |
| InChIKey | AHRAJHROHXBDAF-WYAMFQBQSA-N |
| Molecular Weight | 248.322 g/mol |
| SMILES | C1(O[C@]2([C@@](C(=C)C)(CCC(C(CCC1=C2)O)=C)[H])[H])=O |