| SpectraBase Compound ID | 9JD8XvYkjaL |
|---|---|
| InChI | InChI=1S/C15H20O3/c1-12(2)8-10-18-14-7-6-13(5-4-9-16)11-15(14)17-3/h4-7,9,11-12H,8,10H2,1-3H3/b5-4+ |
| InChIKey | GEMFCTDKCPNNEQ-SNAWJCMRSA-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 | F8siMgjEYSH |
|---|---|
| Name | Coniferyl aldehyde, 3-methylbutyl ether |
| 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/c1-12(2)8-10-18-14-7-6-13(5-4-9-16)11-15(14)17-3/h4-7,9,11-12H,8,10H2,1-3H3/b5-4+ |
| InChIKey | GEMFCTDKCPNNEQ-SNAWJCMRSA-N |
| Molecular Weight | 248.322 g/mol |
| SMILES | C1(=CC(=C(C=C1)OCCC(C)C)OC)\C=C\C=O |