| SpectraBase Compound ID | 2YurVjue1ZN |
|---|---|
| InChI | InChI=1S/C13H16N2O6/c1-13(2,3)21-12(17)14-8-11(16)20-10-7-5-4-6-9(10)15(18)19/h4-7H,8H2,1-3H3,(H,14,17) |
| InChIKey | IEOQXQOSCMLZDP-UHFFFAOYSA-N |
| Mol Weight | 296.28 g/mol |
| Molecular Formula | C13H16N2O6 |
| Exact Mass | 296.100836 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E0GeJUzxe1N |
|---|---|
| Name | N-Carboxyglycine, N-tert-butyl o-nitrophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.100836237 u |
| Formula | C13H16N2O6 |
| InChI | InChI=1S/C13H16N2O6/c1-13(2,3)21-12(17)14-8-11(16)20-10-7-5-4-6-9(10)15(18)19/h4-7H,8H2,1-3H3,(H,14,17) |
| InChIKey | IEOQXQOSCMLZDP-UHFFFAOYSA-N |
| SMILES | N(=O)(=O)C=1C=CC=CC1OC(CNC(OC(C)(C)C)=O)=O |