| SpectraBase Compound ID | B5iIQ99RTrP |
|---|---|
| InChI | InChI=1S/C18H28O2/c1-4-7-9-14-17(18(19-5-2)20-6-3)15-16-12-10-8-11-13-16/h8,10-13,15,18H,4-7,9,14H2,1-3H3/b17-15+ |
| InChIKey | MPKOLWUWOADQCX-BMRADRMJSA-N |
| Mol Weight | 276.42 g/mol |
| Molecular Formula | C18H28O2 |
| Exact Mass | 276.20893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CifzABn7uSJ |
|---|---|
| Name | Amyl cinnamic aldehyde diethyl acetal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.208930140 u |
| Formula | C18H28O2 |
| InChI | InChI=1S/C18H28O2/c1-4-7-9-14-17(18(19-5-2)20-6-3)15-16-12-10-8-11-13-16/h8,10-13,15,18H,4-7,9,14H2,1-3H3/b17-15+ |
| InChIKey | MPKOLWUWOADQCX-BMRADRMJSA-N |
| Molecular Weight | 276.420 g/mol |
| SMILES | C1(\C=C\(C(OCC)OCC)CCCCC)=CC=CC=C1 |