| SpectraBase Compound ID | 2z4gH4GWPNo |
|---|---|
| InChI | InChI=1S/C7H11NO3/c1-2-11-7(10)5-6(9)3-4-8/h6,9H,2-3,5H2,1H3/t6-/m0/s1 |
| InChIKey | LOQFROBMBSKWQY-LURJTMIESA-N |
| Mol Weight | 157.17 g/mol |
| Molecular Formula | C7H11NO3 |
| Exact Mass | 157.073893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EoSNeFh3co7 |
|---|---|
| Name | Ethyl (S)-4-cyano-3-hydroxybutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 157.073893215 u |
| Formula | C7H11NO3 |
| InChI | InChI=1S/C7H11NO3/c1-2-11-7(10)5-6(9)3-4-8/h6,9H,2-3,5H2,1H3/t6-/m0/s1 |
| InChIKey | LOQFROBMBSKWQY-LURJTMIESA-N |
| Molecular Weight | 157.169 g/mol |
| SMILES | C(C[C@](CC#N)(O)[H])(=O)OCC |