![3-[5,5-(Ethylenedioxy)hexyl]benzaldehyde](/api/spectrum/JTlDydPcsRX/structure.png?h=300&w=458 "3-[5,5-(Ethylenedioxy)hexyl]benzaldehyde")
| SpectraBase Compound ID | HzQkU32hZZ |
|---|---|
| InChI | InChI=1S/C15H20O3/c1-15(17-9-10-18-15)8-3-2-5-13-6-4-7-14(11-13)12-16/h4,6-7,11-12H,2-3,5,8-10H2,1H3 |
| InChIKey | DLEQRGLSBOCDOY-UHFFFAOYSA-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 | JTlDydPcsRX |
|---|---|
| Name | 3-[5,5-(Ethylenedioxy)hexyl]benzaldehyde |
| 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/c1-15(17-9-10-18-15)8-3-2-5-13-6-4-7-14(11-13)12-16/h4,6-7,11-12H,2-3,5,8-10H2,1H3 |
| InChIKey | DLEQRGLSBOCDOY-UHFFFAOYSA-N |
| Molecular Weight | 248.322 g/mol |
| SMILES | C1(OCCO1)(CCCCC1=CC(C=O)=CC=C1)C |