| SpectraBase Compound ID | FCXbOTPCAbS |
|---|---|
| InChI | InChI=1S/C11H14O2/c1-8(9(2)12)11(13)10-6-4-3-5-7-10/h3-8,11,13H,1-2H3/t8?,11-/m0/s1 |
| InChIKey | PSMPCPHOQAAKLW-LYNSQETBSA-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 | 1M69jNtJeMA |
|---|---|
| Name | (2rs,4sr)-4-Hydroxy-3-methyl-4-phenylbutan-2-one |
| 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(9(2)12)11(13)10-6-4-3-5-7-10/h3-8,11,13H,1-2H3/t8?,11-/m0/s1 |
| InChIKey | PSMPCPHOQAAKLW-LYNSQETBSA-N |
| Molecular Weight | 178.231 g/mol |
| SMILES | C([C@@](C=1C=CC=CC1)(O)[H])(C(=O)C)C |