| SpectraBase Compound ID | C357NkstYUT |
|---|---|
| InChI | InChI=1S/C9H17NO5/c1-5-15-9(12)10-7(6(2)13-3)8(11)14-4/h6-7H,5H2,1-4H3,(H,10,12) |
| InChIKey | QCGKZLZJPKBIQU-UHFFFAOYSA-N |
| Mol Weight | 219.24 g/mol |
| Molecular Formula | C9H17NO5 |
| Exact Mass | 219.110673 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | INkbdUPPrf2 |
|---|---|
| Name | o-Methyl-L-threonine, N-(ethoxycarbonyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.110672646 u |
| Formula | C9H17NO5 |
| InChI | InChI=1S/C9H17NO5/c1-5-15-9(12)10-7(6(2)13-3)8(11)14-4/h6-7H,5H2,1-4H3,(H,10,12) |
| InChIKey | QCGKZLZJPKBIQU-UHFFFAOYSA-N |
| Molecular Weight | 219.237 g/mol |
| SMILES | COC(C(C(OC)=O)NC(OCC)=O)C |