| SpectraBase Compound ID | If5OMRf1XqF |
|---|---|
| InChI | InChI=1S/C8H17NO3/c1-5(6(9)7(10)11)12-8(2,3)4/h5-6H,9H2,1-4H3,(H,10,11)/t5-,6+/m1/s1 |
| InChIKey | NMJINEMBBQVPGY-RITPCOANSA-N |
| Mol Weight | 175.23 g/mol |
| Molecular Formula | C8H17NO3 |
| Exact Mass | 175.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1r8Eo7v8tPe |
|---|---|
| Name | o-Tert-butyl-L-threonine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.120843408 u |
| Formula | C8H17NO3 |
| InChI | InChI=1S/C8H17NO3/c1-5(6(9)7(10)11)12-8(2,3)4/h5-6H,9H2,1-4H3,(H,10,11)/t5-,6+/m1/s1 |
| InChIKey | NMJINEMBBQVPGY-RITPCOANSA-N |
| SMILES | OC([C@]([C@@](C)(OC(C)(C)C)[H])(N)[H])=O |