| SpectraBase Compound ID | KPnZCgqfEIY |
|---|---|
| InChI | InChI=1S/C22H36O3/c1-7-25-19(24)13-15(2)9-10-17-16(3)14-18(23)20-21(4,5)11-8-12-22(17,20)6/h14-15,17,20H,7-13H2,1-6H3 |
| InChIKey | FNJBMLBNXGDBSY-UHFFFAOYSA-N |
| Mol Weight | 348.5 g/mol |
| Molecular Formula | C22H36O3 |
| Exact Mass | 348.266445 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 | CE9wQ1DFKRz |
|---|---|
| Name | Labd-7-en-15-oic acid, 6-oxo-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.266445016 u |
| Formula | C22H36O3 |
| InChI | InChI=1S/C22H36O3/c1-7-25-19(24)13-15(2)9-10-17-16(3)14-18(23)20-21(4,5)11-8-12-22(17,20)6/h14-15,17,20H,7-13H2,1-6H3 |
| InChIKey | FNJBMLBNXGDBSY-UHFFFAOYSA-N |
| Molecular Weight | 348.527 g/mol |
| SMILES | C(C)OC(CC(CCC1C(=CC(C2C1(CCCC2(C)C)C)=O)C)C)=O |