| SpectraBase Compound ID | x9TmR467bT |
|---|---|
| InChI | InChI=1S/C15H20N2O6/c1-10(18)13(14(20)22-2)17-12(19)8-16-15(21)23-9-11-6-4-3-5-7-11/h3-7,10,13,18H,8-9H2,1-2H3,(H,16,21)(H,17,19)/t10-,13+/m0/s1 |
| InChIKey | FUONNQHEMRALBH-GXFFZTMASA-N |
| Mol Weight | 324.33 g/mol |
| Molecular Formula | C15H20N2O6 |
| Exact Mass | 324.132136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3yoCKpRyjun |
|---|---|
| Name | (N-(Benzyloxycarbonyl)glycyl)-D-threonine methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.132136366 u |
| Formula | C15H20N2O6 |
| InChI | InChI=1S/C15H20N2O6/c1-10(18)13(14(20)22-2)17-12(19)8-16-15(21)23-9-11-6-4-3-5-7-11/h3-7,10,13,18H,8-9H2,1-2H3,(H,16,21)(H,17,19)/t10-,13+/m0/s1 |
| InChIKey | FUONNQHEMRALBH-GXFFZTMASA-N |
| Molecular Weight | 324.333 g/mol |
| SMILES | C1=CC=CC(=C1)COC(NCC(N[C@@](C(OC)=O)([C@](C)(O)[H])[H])=O)=O |