| SpectraBase Compound ID | BoZYnvtUYJ7 |
|---|---|
| InChI | InChI=1S/C12H14O2/c1-2-6-11(13)9-12(14)10-7-4-3-5-8-10/h2-8,11,13H,9H2,1H3/b6-2+ |
| InChIKey | RIMWQYGDSDOEIZ-QHHAFSJGSA-N |
| Mol Weight | 190.24 g/mol |
| Molecular Formula | C12H14O2 |
| Exact Mass | 190.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8uKLgnsDbgt |
|---|---|
| Name | 4-Hexen-1-one, 3-hydroxy-1-phenyl-, (E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.099379689 u |
| Formula | C12H14O2 |
| InChI | InChI=1S/C12H14O2/c1-2-6-11(13)9-12(14)10-7-4-3-5-8-10/h2-8,11,13H,9H2,1H3/b6-2+ |
| InChIKey | RIMWQYGDSDOEIZ-QHHAFSJGSA-N |
| Molecular Weight | 190.242 g/mol |
| SMILES | C(CC(\C=C\C)O)(=O)C1=CC=CC=C1 |