| SpectraBase Compound ID | BmUYkRX3FlL |
|---|---|
| InChI | InChI=1S/C8H14N2O5/c1-5(10-8(13)15-3)7(12)9-4-6(11)14-2/h5H,4H2,1-3H3,(H,9,12)(H,10,13) |
| InChIKey | KEGJLSINTWLJCD-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 | 2T6gnEsPGNd |
|---|---|
| Name | ala-gly, 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(10-8(13)15-3)7(12)9-4-6(11)14-2/h5H,4H2,1-3H3,(H,9,12)(H,10,13) |
| InChIKey | KEGJLSINTWLJCD-UHFFFAOYSA-N |
| Molecular Weight | 218.209 g/mol |
| SMILES | C(NCC(=O)OC)(=O)C(NC(OC)=O)C |