![L-Valine, N-[N-(trifluoroacetyl)glycyl]-, methyl ester](/api/spectrum/30jSNwnTYYn/structure.png?h=300&w=458 "L-Valine, N-[N-(trifluoroacetyl)glycyl]-, methyl ester")
| SpectraBase Compound ID | LBOJOn23ldi |
|---|---|
| InChI | InChI=1S/C10H15F3N2O4/c1-5(2)7(8(17)19-3)15-6(16)4-14-9(18)10(11,12)13/h5,7H,4H2,1-3H3,(H,14,18)(H,15,16) |
| InChIKey | PFEQASDFIBPHJY-UHFFFAOYSA-N |
| Mol Weight | 284.24 g/mol |
| Molecular Formula | C10H15F3N2O4 |
| Exact Mass | 284.098391 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 30jSNwnTYYn |
|---|---|
| Name | L-Valine, N-[N-(trifluoroacetyl)glycyl]-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.098391456 u |
| Formula | C10H15F3N2O4 |
| InChI | InChI=1S/C10H15F3N2O4/c1-5(2)7(8(17)19-3)15-6(16)4-14-9(18)10(11,12)13/h5,7H,4H2,1-3H3,(H,14,18)(H,15,16) |
| InChIKey | PFEQASDFIBPHJY-UHFFFAOYSA-N |
| Molecular Weight | 284.235 g/mol |
| SMILES | C([C@@](NC(CNC(C(F)(F)F)=O)=O)(C(C)C)[H])(OC)=O |