| SpectraBase Compound ID | FB4LUQjmVFQ |
|---|---|
| InChI | InChI=1S/C8H13NO3/c1-6(2)12-8(11)5-7(10)3-4-9/h6-7,10H,3,5H2,1-2H3 |
| InChIKey | ACNJISHVFNLVIS-UHFFFAOYSA-N |
| Mol Weight | 171.2 g/mol |
| Molecular Formula | C8H13NO3 |
| Exact Mass | 171.089543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EAXAMX499R8 |
|---|---|
| Name | 4-Cyano-3-hydroxy-butyric acid isopropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 171.089543280 u |
| Formula | C8H13NO3 |
| InChI | InChI=1S/C8H13NO3/c1-6(2)12-8(11)5-7(10)3-4-9/h6-7,10H,3,5H2,1-2H3 |
| InChIKey | ACNJISHVFNLVIS-UHFFFAOYSA-N |
| Molecular Weight | 171.196 g/mol |
| SMILES | C(CC(CC#N)O)(=O)OC(C)C |