| SpectraBase Compound ID | FoNKTd0Rf7P |
|---|---|
| InChI | InChI=1S/C12H14O2/c1-10(13)9-12(14)8-7-11-5-3-2-4-6-11/h2-8,10,13H,9H2,1H3/b8-7+/t10-/m0/s1 |
| InChIKey | LJCYWJOSRYLPPC-JARNTUPDSA-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 | JQlWJRihIUd |
|---|---|
| Name | (5S,1E)-5-Hydroxy-1-phenyl-1-hexen-3-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/c1-10(13)9-12(14)8-7-11-5-3-2-4-6-11/h2-8,10,13H,9H2,1H3/b8-7+/t10-/m0/s1 |
| InChIKey | LJCYWJOSRYLPPC-JARNTUPDSA-N |
| Molecular Weight | 190.242 g/mol |
| SMILES | C1(\C=C\C(C[C@@](O)(C)[H])=O)=CC=CC=C1 |