| SpectraBase Compound ID | GfySuEFNOG6 |
|---|---|
| InChI | InChI=1S/C25H34F7NO3/c1-2-3-4-5-6-7-8-9-10-14-17-36-21(34)20(18-19-15-12-11-13-16-19)33-22(35)23(26,27)24(28,29)25(30,31)32/h11-13,15-16,20H,2-10,14,17-18H2,1H3,(H,33,35) |
| InChIKey | RSPXMXUFHOUQCC-UHFFFAOYSA-N |
| Mol Weight | 529.5 g/mol |
| Molecular Formula | C25H34F7NO3 |
| Exact Mass | 529.242691 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CS3vH6q7Llh |
|---|---|
| Name | L-Phenylalanine, N-heptafluorobutyryl-, dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 529.242691097 u |
| Formula | C25H34F7NO3 |
| InChI | InChI=1S/C25H34F7NO3/c1-2-3-4-5-6-7-8-9-10-14-17-36-21(34)20(18-19-15-12-11-13-16-19)33-22(35)23(26,27)24(28,29)25(30,31)32/h11-13,15-16,20H,2-10,14,17-18H2,1H3,(H,33,35) |
| InChIKey | RSPXMXUFHOUQCC-UHFFFAOYSA-N |
| Molecular Weight | 529.540 g/mol |
| SMILES | CCCCCCCCCCCCOC(C(NC(C(C(C(F)(F)F)(F)F)(F)F)=O)CC1=CC=CC=C1)=O |