| SpectraBase Compound ID | zIxDlY2oqb |
|---|---|
| InChI | InChI=1S/C12H22N2O4/c1-3-4-5-8-18-12(17)10(13)6-7-11(16)14-9(2)15/h10H,3-8,13H2,1-2H3,(H,14,15,16) |
| InChIKey | PUJGNZCIACCYIP-UHFFFAOYSA-N |
| Mol Weight | 258.32 g/mol |
| Molecular Formula | C12H22N2O4 |
| Exact Mass | 258.157957 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hca9Yi66g1q |
|---|---|
| Name | N-Acetyl-L-glutamine, N-pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.157957192 u |
| Formula | C12H22N2O4 |
| InChI | InChI=1S/C12H22N2O4/c1-3-4-5-8-18-12(17)10(13)6-7-11(16)14-9(2)15/h10H,3-8,13H2,1-2H3,(H,14,15,16) |
| InChIKey | PUJGNZCIACCYIP-UHFFFAOYSA-N |
| SMILES | CC(NC(CCC(C(OCCCCC)=O)N)=O)=O |