| SpectraBase Compound ID | 8fbYPPuhHoA |
|---|---|
| InChI | InChI=1S/C13H25NO5/c1-7-8-18-12(16)14-10(11(15)17-6)9(2)19-13(3,4)5/h9-10H,7-8H2,1-6H3,(H,14,16) |
| InChIKey | KBMVADZCBOCNAW-UHFFFAOYSA-N |
| Mol Weight | 275.34 g/mol |
| Molecular Formula | C13H25NO5 |
| Exact Mass | 275.173273 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GtMuCtVsl7l |
|---|---|
| Name | o-Tert-butyl-L-threonine, N-(N-propyloxycarbonyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.173272904 u |
| Formula | C13H25NO5 |
| InChI | InChI=1S/C13H25NO5/c1-7-8-18-12(16)14-10(11(15)17-6)9(2)19-13(3,4)5/h9-10H,7-8H2,1-6H3,(H,14,16) |
| InChIKey | KBMVADZCBOCNAW-UHFFFAOYSA-N |
| Molecular Weight | 275.345 g/mol |
| SMILES | C(OC(C(C(OC)=O)NC(OCCC)=O)C)(C)(C)C |