| SpectraBase Compound ID | IBKiELYDAYR |
|---|---|
| InChI | InChI=1S/C9H16N2O5/c1-4-16-9(14)10-5-7(12)11-6(2)8(13)15-3/h6H,4-5H2,1-3H3,(H,10,14)(H,11,12)/t6-/m0/s1 |
| InChIKey | QVUCOHNDFCJHCI-LURJTMIESA-N |
| Mol Weight | 232.24 g/mol |
| Molecular Formula | C9H16N2O5 |
| Exact Mass | 232.105922 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2gQ0eSszawG |
|---|---|
| Name | gly-L-ala, N-Ethoxycarbonyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.105921618 u |
| Formula | C9H16N2O5 |
| InChI | InChI=1S/C9H16N2O5/c1-4-16-9(14)10-5-7(12)11-6(2)8(13)15-3/h6H,4-5H2,1-3H3,(H,10,14)(H,11,12)/t6-/m0/s1 |
| InChIKey | QVUCOHNDFCJHCI-LURJTMIESA-N |
| Molecular Weight | 232.236 g/mol |
| SMILES | [C@](NC(CNC(OCC)=O)=O)(C(OC)=O)(C)[H] |