| SpectraBase Compound ID | AHaGGzJJ4Ab |
|---|---|
| InChI | InChI=1S/C15H22F5NO3/c1-3-5-6-7-8-10-24-12(22)11(9-4-2)21-13(23)14(16,17)15(18,19)20/h4,11H,2-3,5-10H2,1H3,(H,21,23) |
| InChIKey | GAULQCILEDBJGA-UHFFFAOYSA-N |
| Mol Weight | 359.34 g/mol |
| Molecular Formula | C15H22F5NO3 |
| Exact Mass | 359.151984 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J5bdtYtN1to |
|---|---|
| Name | D-Allylglycine, N-pentafluoropropionyl-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 359.151984384 u |
| Formula | C15H22F5NO3 |
| InChI | InChI=1S/C15H22F5NO3/c1-3-5-6-7-8-10-24-12(22)11(9-4-2)21-13(23)14(16,17)15(18,19)20/h4,11H,2-3,5-10H2,1H3,(H,21,23) |
| InChIKey | GAULQCILEDBJGA-UHFFFAOYSA-N |
| Molecular Weight | 359.337 g/mol |
| SMILES | C(C(=O)NC(C(OCCCCCCC)=O)CC=C)(C(F)(F)F)(F)F |