| SpectraBase Compound ID | AnPGSo4XS2U |
|---|---|
| InChI | InChI=1S/C12H22N2O4/c1-8(2)6-7-18-12(17)10(13)4-5-11(16)14-9(3)15/h8,10H,4-7,13H2,1-3H3,(H,14,15,16) |
| InChIKey | MLDPQRHFDMCUSD-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 | 3eX1j1N9Xum |
|---|---|
| Name | N-Acetyl-L-glutamine, 3-methylbutyl 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/c1-8(2)6-7-18-12(17)10(13)4-5-11(16)14-9(3)15/h8,10H,4-7,13H2,1-3H3,(H,14,15,16) |
| InChIKey | MLDPQRHFDMCUSD-UHFFFAOYSA-N |
| SMILES | CC(NC(CCC(C(OCCC(C)C)=O)N)=O)=O |