| SpectraBase Compound ID | DSM0kL9i0lK |
|---|---|
| InChI | InChI=1S/C11H14O2/c1-8(2)10(12)11(13)9-6-4-3-5-7-9/h3-8,10,12H,1-2H3/t10-/m0/s1 |
| InChIKey | SXBWYXYGEHOVPU-JTQLQIEISA-N |
| Mol Weight | 178.23 g/mol |
| Molecular Formula | C11H14O2 |
| Exact Mass | 178.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GBLgp7XkYUl |
|---|---|
| Name | (2S)-2-Hydroxy-3-methyl-1-phenyl-1-butanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.099379689 u |
| Formula | C11H14O2 |
| InChI | InChI=1S/C11H14O2/c1-8(2)10(12)11(13)9-6-4-3-5-7-9/h3-8,10,12H,1-2H3/t10-/m0/s1 |
| InChIKey | SXBWYXYGEHOVPU-JTQLQIEISA-N |
| Molecular Weight | 178.231 g/mol |
| SMILES | C([C@](C(C)C)(O)[H])(=O)C=1C=CC=CC1 |