| SpectraBase Compound ID | A8CUDQVZFEd |
|---|---|
| InChI | InChI=1S/C11H11NO2/c12-7-6-10(13)8-11(14)9-4-2-1-3-5-9/h1-5,10,13H,6,8H2/t10-/m1/s1 |
| InChIKey | WPOGPGFVPUEHAW-SNVBAGLBSA-N |
| Mol Weight | 189.21 g/mol |
| Molecular Formula | C11H11NO2 |
| Exact Mass | 189.078979 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Uv4uZ8Ewdm |
|---|---|
| Name | (3R)-3-Hydroxy-5-oxo-5-phenylpentanenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 189.078978596 u |
| Formula | C11H11NO2 |
| InChI | InChI=1S/C11H11NO2/c12-7-6-10(13)8-11(14)9-4-2-1-3-5-9/h1-5,10,13H,6,8H2/t10-/m1/s1 |
| InChIKey | WPOGPGFVPUEHAW-SNVBAGLBSA-N |
| Molecular Weight | 189.214 g/mol |
| SMILES | C(C[C@@](CC#N)(O)[H])(=O)C=1C=CC=CC1 |