![Glutamine, o(1)-T-butyl-o(5)-[4-nitrobenzyl]-, ester](/api/spectrum/Hsx3z1e93LT/structure.png?h=300&w=458 "Glutamine, o(1)-T-butyl-o(5)-[4-nitrobenzyl]-, ester")
| SpectraBase Compound ID | K7NkJbHo6Rd |
|---|---|
| InChI | InChI=1S/C16H22N2O6/c1-16(2,3)24-15(20)13(17)8-9-14(19)23-10-11-4-6-12(7-5-11)18(21)22/h4-7,13H,8-10,17H2,1-3H3 |
| InChIKey | VRBPMAAJFMJHTF-UHFFFAOYSA-N |
| Mol Weight | 338.36 g/mol |
| Molecular Formula | C16H22N2O6 |
| Exact Mass | 338.147786 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hsx3z1e93LT |
|---|---|
| Name | Glutamine, o(1)-T-butyl-o(5)-[4-nitrobenzyl]-, ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.147786430 u |
| Formula | C16H22N2O6 |
| InChI | InChI=1S/C16H22N2O6/c1-16(2,3)24-15(20)13(17)8-9-14(19)23-10-11-4-6-12(7-5-11)18(21)22/h4-7,13H,8-10,17H2,1-3H3 |
| InChIKey | VRBPMAAJFMJHTF-UHFFFAOYSA-N |
| Molecular Weight | 338.360 g/mol |
| SMILES | C1(=CC=C(C=C1)COC(CCC(C(OC(C)(C)C)=O)N)=O)N(=O)=O |