| SpectraBase Compound ID | 842VdoMu5V6 |
|---|---|
| InChI | InChI=1S/C16H31NO5/c1-10(2)20-14(19)17-12(11(3)21-15(4,5)6)13(18)22-16(7,8)9/h10-12H,1-9H3,(H,17,19) |
| InChIKey | PPTNHZJYSWHCSB-UHFFFAOYSA-N |
| Mol Weight | 317.43 g/mol |
| Molecular Formula | C16H31NO5 |
| Exact Mass | 317.220223 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 82JNa0hVibT |
|---|---|
| Name | o-Tert-butyl-L-threonine, N-(isopropyloxycarbonyl)-, tert-butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.220223097 u |
| Formula | C16H31NO5 |
| InChI | InChI=1S/C16H31NO5/c1-10(2)20-14(19)17-12(11(3)21-15(4,5)6)13(18)22-16(7,8)9/h10-12H,1-9H3,(H,17,19) |
| InChIKey | PPTNHZJYSWHCSB-UHFFFAOYSA-N |
| Molecular Weight | 317.426 g/mol |
| SMILES | CC(C(C(OC(C)(C)C)=O)NC(OC(C)C)=O)OC(C)(C)C |