| SpectraBase Compound ID | 6wqfobU3qYA |
|---|---|
| InChI | InChI=1S/C16H20O5/c17-9-4-10-19-16(18)6-3-1-2-5-13-7-8-14-15(11-13)21-12-20-14/h2,5,7-8,11,17H,1,3-4,6,9-10,12H2/b5-2+ |
| InChIKey | NKRQJFQOEAMUEA-GORDUTHDSA-N |
| Mol Weight | 292.33 g/mol |
| Molecular Formula | C16H20O5 |
| Exact Mass | 292.131074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L62Xk5mM1N2 |
|---|---|
| Name | 6-(3',4'-Methylenedioxyphenyl)-E-5-hexenoic acid propylene glycol ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.131073739 u |
| Formula | C16H20O5 |
| InChI | InChI=1S/C16H20O5/c17-9-4-10-19-16(18)6-3-1-2-5-13-7-8-14-15(11-13)21-12-20-14/h2,5,7-8,11,17H,1,3-4,6,9-10,12H2/b5-2+ |
| InChIKey | NKRQJFQOEAMUEA-GORDUTHDSA-N |
| SMILES | C=12C(OCO2)=CC=C(\C=C\CCCC(=O)OCCCO)C1 |