| SpectraBase Compound ID | GiW6E9XElQz |
|---|---|
| InChI | InChI=1S/C11H21NO5/c1-7(17-11(2,3)4)8(9(13)15-5)12-10(14)16-6/h7-8H,1-6H3,(H,12,14) |
| InChIKey | PYZCQCTYNQIREH-UHFFFAOYSA-N |
| Mol Weight | 247.29 g/mol |
| Molecular Formula | C11H21NO5 |
| Exact Mass | 247.141973 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9K7CQNHMFpI |
|---|---|
| Name | o-Tert-butyl-L-threonine, N-(methoxycarbonyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.141972775 u |
| Formula | C11H21NO5 |
| InChI | InChI=1S/C11H21NO5/c1-7(17-11(2,3)4)8(9(13)15-5)12-10(14)16-6/h7-8H,1-6H3,(H,12,14) |
| InChIKey | PYZCQCTYNQIREH-UHFFFAOYSA-N |
| Molecular Weight | 247.291 g/mol |
| SMILES | C(OC(C(C(OC)=O)NC(OC)=O)C)(C)(C)C |