| SpectraBase Compound ID | GYrbpYw0qCM |
|---|---|
| InChI | InChI=1S/C14H20F5NO3/c1-3-5-6-7-9-23-11(21)10(8-4-2)20-12(22)13(15,16)14(17,18)19/h4,10H,2-3,5-9H2,1H3,(H,20,22) |
| InChIKey | FPSLFLFZCATBNK-UHFFFAOYSA-N |
| Mol Weight | 345.31 g/mol |
| Molecular Formula | C14H20F5NO3 |
| Exact Mass | 345.136334 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8d5haKj2NHe |
|---|---|
| Name | L-Allylglycine, N-pentafluoropropionyl-, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 345.136334320 u |
| Formula | C14H20F5NO3 |
| InChI | InChI=1S/C14H20F5NO3/c1-3-5-6-7-9-23-11(21)10(8-4-2)20-12(22)13(15,16)14(17,18)19/h4,10H,2-3,5-9H2,1H3,(H,20,22) |
| InChIKey | FPSLFLFZCATBNK-UHFFFAOYSA-N |
| Molecular Weight | 345.310 g/mol |
| SMILES | CCCCCCOC(C(NC(=O)C(C(F)(F)F)(F)F)CC=C)=O |