| SpectraBase Compound ID | 40U0nXUBjXs |
|---|---|
| InChI | InChI=1S/C9H13F3N2O4/c1-2-18-7(16)5(3-4-6(13)15)14-8(17)9(10,11)12/h5H,2-4H2,1H3,(H2,13,15)(H,14,17) |
| InChIKey | AATAJPZWGYMHBQ-UHFFFAOYSA-N |
| Mol Weight | 270.21 g/mol |
| Molecular Formula | C9H13F3N2O4 |
| Exact Mass | 270.082741 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AujwcVilKG3 |
|---|---|
| Name | L-Glutamine, N-trifluoroacetyl-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.082741392 u |
| Formula | C9H13F3N2O4 |
| InChI | InChI=1S/C9H13F3N2O4/c1-2-18-7(16)5(3-4-6(13)15)14-8(17)9(10,11)12/h5H,2-4H2,1H3,(H2,13,15)(H,14,17) |
| InChIKey | AATAJPZWGYMHBQ-UHFFFAOYSA-N |
| Molecular Weight | 270.208 g/mol |
| SMILES | C(C(NC(CCC(=O)N)C(=O)OCC)=O)(F)(F)F |