| SpectraBase Compound ID | 6Cg7ybCzVwp |
|---|---|
| InChI | InChI=1S/C15H20O2/c1-13(6-4-12-16)5-3-7-14-8-10-15(17-2)11-9-14/h5,8-12H,3-4,6-7H2,1-2H3/b13-5+ |
| InChIKey | XTFIXQOFGASDQF-WLRTZDKTSA-N |
| Mol Weight | 232.32 g/mol |
| Molecular Formula | C15H20O2 |
| Exact Mass | 232.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BSqEvXoCJba |
|---|---|
| Name | 4-Heptenal, 7-(4-methoxyphenyl)-4-methyl-, (E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.146329882 u |
| Formula | C15H20O2 |
| InChI | InChI=1S/C15H20O2/c1-13(6-4-12-16)5-3-7-14-8-10-15(17-2)11-9-14/h5,8-12H,3-4,6-7H2,1-2H3/b13-5+ |
| InChIKey | XTFIXQOFGASDQF-WLRTZDKTSA-N |
| Molecular Weight | 232.323 g/mol |
| SMILES | C(\C=C\(CCC=O)C)CC=1C=CC(=CC1)OC |