| SpectraBase Compound ID | GvCVJkgwz1b |
|---|---|
| InChI | InChI=1S/C12H22N2O6/c1-5-6-20-12(18)13-7(2)10(16)14-9(8(3)15)11(17)19-4/h7-9,15H,5-6H2,1-4H3,(H,13,18)(H,14,16) |
| InChIKey | PJRATHAQWJPKEN-UHFFFAOYSA-N |
| Mol Weight | 290.32 g/mol |
| Molecular Formula | C12H22N2O6 |
| Exact Mass | 290.147786 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HZ1jm4krxFi |
|---|---|
| Name | ala-thr, N-(N-Propyloxycarbonyl)-, methyl ester (isomer 2) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.147786430 u |
| Formula | C12H22N2O6 |
| InChI | InChI=1S/C12H22N2O6/c1-5-6-20-12(18)13-7(2)10(16)14-9(8(3)15)11(17)19-4/h7-9,15H,5-6H2,1-4H3,(H,13,18)(H,14,16) |
| InChIKey | PJRATHAQWJPKEN-UHFFFAOYSA-N |
| SMILES | C(=O)(C(C)NC(OCCC)=O)NC(C(O)C)C(OC)=O |