| SpectraBase Compound ID | IjOXqIJp31a |
|---|---|
| InChI | InChI=1S/C12H14N2O5/c15-10(13-7-11(16)17)6-14-12(18)19-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,15)(H,14,18)(H,16,17) |
| InChIKey | VFRCXEHNAFUTQC-UHFFFAOYSA-N |
| Mol Weight | 266.25 g/mol |
| Molecular Formula | C12H14N2O5 |
| Exact Mass | 266.090272 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 807WQkBnPco |
|---|---|
| Name | N-(N-Carboxyglycyl)glycine, N-benzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.090271554 u |
| Formula | C12H14N2O5 |
| InChI | InChI=1S/C12H14N2O5/c15-10(13-7-11(16)17)6-14-12(18)19-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,15)(H,14,18)(H,16,17) |
| InChIKey | VFRCXEHNAFUTQC-UHFFFAOYSA-N |
| Molecular Weight | 266.253 g/mol |
| SMILES | N(C(OCC1=CC=CC=C1)=O)CC(NCC(O)=O)=O |