| SpectraBase Compound ID | EcHHBT3yk2y |
|---|---|
| InChI | InChI=1S/C13H22N2O7/c1-8(2)22-13(19)14-7-10(16)15-9(12(18)21-4)5-6-11(17)20-3/h8-9H,5-7H2,1-4H3,(H,14,19)(H,15,16) |
| InChIKey | VYHPEUIFDQQYEQ-UHFFFAOYSA-N |
| Mol Weight | 318.33 g/mol |
| Molecular Formula | C13H22N2O7 |
| Exact Mass | 318.142701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GGRMDB00S52 |
|---|---|
| Name | gly-glu, N-(Isopropyloxycarbonyl)-, dimethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.142701049 u |
| Formula | C13H22N2O7 |
| InChI | InChI=1S/C13H22N2O7/c1-8(2)22-13(19)14-7-10(16)15-9(12(18)21-4)5-6-11(17)20-3/h8-9H,5-7H2,1-4H3,(H,14,19)(H,15,16) |
| InChIKey | VYHPEUIFDQQYEQ-UHFFFAOYSA-N |
| Molecular Weight | 318.326 g/mol |
| SMILES | C(C(NC(=O)CNC(OC(C)C)=O)CCC(=O)OC)(=O)OC |