| SpectraBase Compound ID | L8SSPxk7ddg |
|---|---|
| InChI | InChI=1S/C11H14F7NO3/c1-4-22-7(20)6(5(2)3)19-8(21)9(12,13)10(14,15)11(16,17)18/h5-6H,4H2,1-3H3,(H,19,21) |
| InChIKey | HEAQWOQEFAYBNF-UHFFFAOYSA-N |
| Mol Weight | 341.23 g/mol |
| Molecular Formula | C11H14F7NO3 |
| Exact Mass | 341.08619 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DYmnpckS4NM |
|---|---|
| Name | L-Valine, N-heptafluorobutyryl-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 341.086190453 u |
| Formula | C11H14F7NO3 |
| InChI | InChI=1S/C11H14F7NO3/c1-4-22-7(20)6(5(2)3)19-8(21)9(12,13)10(14,15)11(16,17)18/h5-6H,4H2,1-3H3,(H,19,21) |
| InChIKey | HEAQWOQEFAYBNF-UHFFFAOYSA-N |
| Molecular Weight | 341.226 g/mol |
| SMILES | CCOC(C(C(C)C)NC(C(C(C(F)(F)F)(F)F)(F)F)=O)=O |