| SpectraBase Compound ID | 2xGac4lk4R9 |
|---|---|
| InChI | InChI=1S/C12H23NO5/c1-7-17-11(15)13-9(10(14)16-6)8(2)18-12(3,4)5/h8-9H,7H2,1-6H3,(H,13,15) |
| InChIKey | PHCZRYMCWFVNRB-UHFFFAOYSA-N |
| Mol Weight | 261.32 g/mol |
| Molecular Formula | C12H23NO5 |
| Exact Mass | 261.157623 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J7mftO7cWoH |
|---|---|
| Name | o-Tert-butyl-L-threonine, N-(ethoxycarbonyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.157622840 u |
| Formula | C12H23NO5 |
| InChI | InChI=1S/C12H23NO5/c1-7-17-11(15)13-9(10(14)16-6)8(2)18-12(3,4)5/h8-9H,7H2,1-6H3,(H,13,15) |
| InChIKey | PHCZRYMCWFVNRB-UHFFFAOYSA-N |
| Molecular Weight | 261.318 g/mol |
| SMILES | C(OC(C(C(OC)=O)NC(OCC)=O)C)(C)(C)C |