| SpectraBase Compound ID | 6nZ7AJw7K0F |
|---|---|
| InChI | InChI=1S/C12H22N2O5/c1-5-6-19-12(17)14-10(8(2)3)11(16)13-7-9(15)18-4/h8,10H,5-7H2,1-4H3,(H,13,16)(H,14,17) |
| InChIKey | MRVZGFGSNAIFET-UHFFFAOYSA-N |
| Mol Weight | 274.32 g/mol |
| Molecular Formula | C12H22N2O5 |
| Exact Mass | 274.152872 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DSvjyi7mxJe |
|---|---|
| Name | val-gly, N-(N-Propyloxycarbonyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.152871811 u |
| Formula | C12H22N2O5 |
| InChI | InChI=1S/C12H22N2O5/c1-5-6-19-12(17)14-10(8(2)3)11(16)13-7-9(15)18-4/h8,10H,5-7H2,1-4H3,(H,13,16)(H,14,17) |
| InChIKey | MRVZGFGSNAIFET-UHFFFAOYSA-N |
| Molecular Weight | 274.317 g/mol |
| SMILES | C(C(NC(OCCC)=O)C(C)C)(=O)NCC(=O)OC |