| SpectraBase Compound ID | XuiMgJHpTf |
|---|---|
| InChI | InChI=1S/C18H20F15NO3/c1-3-4-5-6-7-8-37-10(35)9(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/h9H,3-8H2,1-2H3,(H,34,36) |
| InChIKey | SPWWYHUUXAGROR-UHFFFAOYSA-N |
| Mol Weight | 583.34 g/mol |
| Molecular Formula | C18H20F15NO3 |
| Exact Mass | 583.120366 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K9KANhVxDn2 |
|---|---|
| Name | L-Alanine, N-pentadecafluorooctanoyl-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 583.120365950 u |
| Formula | C18H20F15NO3 |
| InChI | InChI=1S/C18H20F15NO3/c1-3-4-5-6-7-8-37-10(35)9(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/h9H,3-8H2,1-2H3,(H,34,36) |
| InChIKey | SPWWYHUUXAGROR-UHFFFAOYSA-N |
| Molecular Weight | 583.338 g/mol |
| SMILES | C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(NC(C)C(OCCCCCCC)=O)=O)(F)F)(F)F |