| SpectraBase Compound ID | 9nCGIXUu29d |
|---|---|
| InChI | InChI=1S/C7H10N2O4/c1-12-6(10)5(3-4-8)9-7(11)13-2/h5H,3H2,1-2H3,(H,9,11) |
| InChIKey | JDHATAMKTAGEMW-UHFFFAOYSA-N |
| Mol Weight | 186.17 g/mol |
| Molecular Formula | C7H10N2O4 |
| Exact Mass | 186.064057 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C7UgYXcLvRi |
|---|---|
| Name | L-Alanine, 3-cyano-, N-methoxycarbonyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.064056806 u |
| Formula | C7H10N2O4 |
| InChI | InChI=1S/C7H10N2O4/c1-12-6(10)5(3-4-8)9-7(11)13-2/h5H,3H2,1-2H3,(H,9,11) |
| InChIKey | JDHATAMKTAGEMW-UHFFFAOYSA-N |
| Molecular Weight | 186.167 g/mol |
| SMILES | C(=O)(OC)C(NC(OC)=O)CC#N |