| SpectraBase Compound ID | 1aeB75lZVbY |
|---|---|
| InChI | InChI=1S/C12H16O2/c1-9(2)11(13)8-12(14)10-6-4-3-5-7-10/h3-7,9,11,13H,8H2,1-2H3/t11-/m0/s1 |
| InChIKey | BCGVBUUHOCSGBT-NSHDSACASA-N |
| Mol Weight | 192.26 g/mol |
| Molecular Formula | C12H16O2 |
| Exact Mass | 192.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GjBcEzfuCkA |
|---|---|
| Name | (3S)-3-Hydroxy-4-methyl-1-phenyl-1-pentanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.115029753 u |
| Formula | C12H16O2 |
| InChI | InChI=1S/C12H16O2/c1-9(2)11(13)8-12(14)10-6-4-3-5-7-10/h3-7,9,11,13H,8H2,1-2H3/t11-/m0/s1 |
| InChIKey | BCGVBUUHOCSGBT-NSHDSACASA-N |
| Molecular Weight | 192.258 g/mol |
| SMILES | C(C(=O)C1=CC=CC=C1)[C@@](C(C)C)(O)[H] |