| SpectraBase Compound ID | J9yQprFyblw |
|---|---|
| InChI | InChI=1S/C15H18O5/c16-5-1-2-13-3-4-14-15(12-13)20-11-9-18-7-6-17-8-10-19-14/h1-5,12H,6-11H2/b2-1+ |
| InChIKey | NTJKLPVHONUJIN-OWOJBTEDSA-N |
| Mol Weight | 278.3 g/mol |
| Molecular Formula | C15H18O5 |
| Exact Mass | 278.115424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fesju786aiF |
|---|---|
| Name | 3-(Benzo-12-crown-4)prop-2-en-1-al |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.115423675 u |
| Formula | C15H18O5 |
| InChI | InChI=1S/C15H18O5/c16-5-1-2-13-3-4-14-15(12-13)20-11-9-18-7-6-17-8-10-19-14/h1-5,12H,6-11H2/b2-1+ |
| InChIKey | NTJKLPVHONUJIN-OWOJBTEDSA-N |
| SMILES | C12=C(OCCOCCOCCO2)C=CC(\C=C\C=O)=C1 |