| SpectraBase Compound ID | 3mQxCOKIwYE |
|---|---|
| InChI | InChI=1S/C18H28O/c1-14-9-10-16-17(2,3)11-7-12-18(16,4)15(14)8-5-6-13-19/h5-6,13,15-16H,1,7-12H2,2-4H3/b6-5+ |
| InChIKey | UMOQQBYJZPZYPC-AATRIKPKSA-N |
| Mol Weight | 260.42 g/mol |
| Molecular Formula | C18H28O |
| Exact Mass | 260.214016 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3bAOWy2OTgI |
|---|---|
| Name | (E)-15,16-Dinorlabda-8(17),12-dien-14-al |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.214015521 u |
| Formula | C18H28O |
| InChI | InChI=1S/C18H28O/c1-14-9-10-16-17(2,3)11-7-12-18(16,4)15(14)8-5-6-13-19/h5-6,13,15-16H,1,7-12H2,2-4H3/b6-5+ |
| InChIKey | UMOQQBYJZPZYPC-AATRIKPKSA-N |
| Molecular Weight | 260.421 g/mol |
| SMILES | C(\C=C\CC1C(CCC2C1(CCCC2(C)C)C)=C)=O |