| SpectraBase Compound ID | B1oeYjlvbwB |
|---|---|
| InChI | InChI=1S/C12H14O2/c1-2-3-4-8-12(14)10-6-5-7-11(13)9-10/h4-9,13H,2-3H2,1H3/b8-4+ |
| InChIKey | IFXONQSPOUFDBG-XBXARRHUSA-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 | 6xOI8HeKi6k |
|---|---|
| Name | (E)-1-(3-Hydroxyphenyl)-2-hexen-1-one |
| 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/c1-2-3-4-8-12(14)10-6-5-7-11(13)9-10/h4-9,13H,2-3H2,1H3/b8-4+ |
| InChIKey | IFXONQSPOUFDBG-XBXARRHUSA-N |
| Molecular Weight | 190.242 g/mol |
| SMILES | C(C1=CC(O)=CC=C1)(\C=C\CCC)=O |