| SpectraBase Compound ID | CG6wv7f91aS |
|---|---|
| InChI | InChI=1S/C13H16O2/c1-10(11(2)14)13(15)9-8-12-6-4-3-5-7-12/h3-10,13,15H,1-2H3/b9-8+ |
| InChIKey | FDGLVDIVRXFBNV-CMDGGOBGSA-N |
| Mol Weight | 204.27 g/mol |
| Molecular Formula | C13H16O2 |
| Exact Mass | 204.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4CiHFr723Ee |
|---|---|
| Name | 5-Hexen-2-one, 4-hydroxy-3-methyl-6-phenyl-, (R*,S*)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.115029753 u |
| Formula | C13H16O2 |
| InChI | InChI=1S/C13H16O2/c1-10(11(2)14)13(15)9-8-12-6-4-3-5-7-12/h3-10,13,15H,1-2H3/b9-8+ |
| InChIKey | FDGLVDIVRXFBNV-CMDGGOBGSA-N |
| Molecular Weight | 204.269 g/mol |
| SMILES | C=1(\C=C\C(C(C(=O)C)C)O)C=CC=CC1 |