| SpectraBase Compound ID | 7O9abzHqObO |
|---|---|
| InChI | InChI=1S/C9H14N2O4/c1-3-14-8(12)7(5-6-10)11-9(13)15-4-2/h7H,3-5H2,1-2H3,(H,11,13) |
| InChIKey | PMWSWZPZWAIOKM-UHFFFAOYSA-N |
| Mol Weight | 214.22 g/mol |
| Molecular Formula | C9H14N2O4 |
| Exact Mass | 214.095357 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DkrKg2XW9F7 |
|---|---|
| Name | L-Alanine, 3-cyano-, N-ethoxycarbonyl-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.095356935 u |
| Formula | C9H14N2O4 |
| InChI | InChI=1S/C9H14N2O4/c1-3-14-8(12)7(5-6-10)11-9(13)15-4-2/h7H,3-5H2,1-2H3,(H,11,13) |
| InChIKey | PMWSWZPZWAIOKM-UHFFFAOYSA-N |
| Molecular Weight | 214.221 g/mol |
| SMILES | C(=O)(OCC)C(NC(OCC)=O)CC#N |