| SpectraBase Compound ID | 4sM7QBUqdjJ |
|---|---|
| InChI | InChI=1S/C8H14N2O5/c1-5(7(12)14-2)10-6(11)4-9-8(13)15-3/h5H,4H2,1-3H3,(H,9,13)(H,10,11) |
| InChIKey | CMDBLCHYNKEYKQ-UHFFFAOYSA-N |
| Mol Weight | 218.21 g/mol |
| Molecular Formula | C8H14N2O5 |
| Exact Mass | 218.090272 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DFHliFyWDBo |
|---|---|
| Name | gly-ala, N-Methoxycarbonyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.090271554 u |
| Formula | C8H14N2O5 |
| InChI | InChI=1S/C8H14N2O5/c1-5(7(12)14-2)10-6(11)4-9-8(13)15-3/h5H,4H2,1-3H3,(H,9,13)(H,10,11) |
| InChIKey | CMDBLCHYNKEYKQ-UHFFFAOYSA-N |
| Molecular Weight | 218.209 g/mol |
| SMILES | C(NC(CNC(OC)=O)=O)(C(OC)=O)C |