| SpectraBase Compound ID | 4ycDq3Fa0i2 |
|---|---|
| InChI | InChI=1S/C9H13NO4/c1-3-13-9(12)6-8(4-5-10)14-7(2)11/h8H,3-4,6H2,1-2H3/t8-/m0/s1 |
| InChIKey | AEQKWJLQLHITKP-QMMMGPOBSA-N |
| Mol Weight | 199.21 g/mol |
| Molecular Formula | C9H13NO4 |
| Exact Mass | 199.084458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KXphzgwopWu |
|---|---|
| Name | Ethyl (S)-4-cyano-3-hydroxybutanoate, acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 199.084457899 u |
| Formula | C9H13NO4 |
| InChI | InChI=1S/C9H13NO4/c1-3-13-9(12)6-8(4-5-10)14-7(2)11/h8H,3-4,6H2,1-2H3/t8-/m0/s1 |
| InChIKey | AEQKWJLQLHITKP-QMMMGPOBSA-N |
| Molecular Weight | 199.206 g/mol |
| SMILES | C(C[C@](CC#N)(OC(=O)C)[H])(=O)OCC |