| SpectraBase Compound ID | KknX9auAwAG |
|---|---|
| InChI | InChI=1S/C18H18F15NO3/c1-3-5-6-8-37-10(35)9(7-4-2)34-11(36)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)17(29,30)18(31,32)33/h4,9H,2-3,5-8H2,1H3,(H,34,36) |
| InChIKey | SEJJIEYMVQMZDL-UHFFFAOYSA-N |
| Mol Weight | 581.32 g/mol |
| Molecular Formula | C18H18F15NO3 |
| Exact Mass | 581.104716 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7knF0oMEUir |
|---|---|
| Name | D-Allylglycine, N-pentadecafluorooctanoyl-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 581.104715886 u |
| Formula | C18H18F15NO3 |
| InChI | InChI=1S/C18H18F15NO3/c1-3-5-6-8-37-10(35)9(7-4-2)34-11(36)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)17(29,30)18(31,32)33/h4,9H,2-3,5-8H2,1H3,(H,34,36) |
| InChIKey | SEJJIEYMVQMZDL-UHFFFAOYSA-N |
| Molecular Weight | 581.322 g/mol |
| SMILES | CCCCCOC(=O)C(CC=C)NC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)=O |