![Aspartic acid, o(1)-[4-nitrobenzyl]-o(4)-T-butyl ester](/api/spectrum/E9AFk0gBg7a/structure.png?h=300&w=458 "Aspartic acid, o(1)-[4-nitrobenzyl]-o(4)-T-butyl ester")
| SpectraBase Compound ID | D3Bb7C2mPQJ |
|---|---|
| InChI | InChI=1S/C15H20N2O6/c1-15(2,3)23-13(18)8-12(16)14(19)22-9-10-4-6-11(7-5-10)17(20)21/h4-7,12H,8-9,16H2,1-3H3 |
| InChIKey | JGGUBAYQIKAMES-UHFFFAOYSA-N |
| Mol Weight | 324.33 g/mol |
| Molecular Formula | C15H20N2O6 |
| Exact Mass | 324.132136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E9AFk0gBg7a |
|---|---|
| Name | Aspartic acid, o(1)-[4-nitrobenzyl]-o(4)-T-butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.132136366 u |
| Formula | C15H20N2O6 |
| InChI | InChI=1S/C15H20N2O6/c1-15(2,3)23-13(18)8-12(16)14(19)22-9-10-4-6-11(7-5-10)17(20)21/h4-7,12H,8-9,16H2,1-3H3 |
| InChIKey | JGGUBAYQIKAMES-UHFFFAOYSA-N |
| Molecular Weight | 324.333 g/mol |
| SMILES | C(OC(C)(C)C)(CC(C(OCC=1C=CC(=CC1)N(=O)=O)=O)N)=O |