| SpectraBase Compound ID | OcP6DjlIEf |
|---|---|
| InChI | InChI=1S/C15H20O3/c1-9-4-7-13(16)10(2)5-6-12-11(3)15(17)18-14(12)8-9/h5,8,12-14,16H,3-4,6-7H2,1-2H3/b9-8+,10-5+ |
| InChIKey | XQUFOUZQKNYMIU-VZGHUFTCSA-N |
| Mol Weight | 248.32 g/mol |
| Molecular Formula | C15H20O3 |
| Exact Mass | 248.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | AykWKN2jm5m |
|---|---|
| Name | 1-Hydroxygermacra-4E,9E,11(13)-trien-12,6-olide |
| 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/c1-9-4-7-13(16)10(2)5-6-12-11(3)15(17)18-14(12)8-9/h5,8,12-14,16H,3-4,6-7H2,1-2H3/b9-8+,10-5+ |
| InChIKey | XQUFOUZQKNYMIU-VZGHUFTCSA-N |
| Molecular Weight | 248.322 g/mol |
| SMILES | C1(C(C2C\C=C\(C(O)CC\C(=C\C2O1)C)C)=C)=O |