| SpectraBase Compound ID | LcfdXYey75D |
|---|---|
| InChI | InChI=1S/C12H23NO5/c1-5-7-17-11(14)10(9(3)16-4)13-12(15)18-8-6-2/h9-10H,5-8H2,1-4H3,(H,13,15) |
| InChIKey | BUBSANBUPKMWKD-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 | 30rB0yIfSCm |
|---|---|
| Name | o-Methyl-L-threonine, N-(N-propyloxycarbonyl)-, N-propyl 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/c1-5-7-17-11(14)10(9(3)16-4)13-12(15)18-8-6-2/h9-10H,5-8H2,1-4H3,(H,13,15) |
| InChIKey | BUBSANBUPKMWKD-UHFFFAOYSA-N |
| Molecular Weight | 261.318 g/mol |
| SMILES | COC(C(C(OCCC)=O)NC(OCCC)=O)C |