| SpectraBase Compound ID | 6SNCUzaCNDC |
|---|---|
| InChI | InChI=1S/C19H20F15NO3/c1-4-6-10(11(36)38-8-5-7-9(2)3)35-12(37)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)34/h4,9-10H,1,5-8H2,2-3H3,(H,35,37) |
| InChIKey | YDQDMIWMPTUQGO-UHFFFAOYSA-N |
| Mol Weight | 595.35 g/mol |
| Molecular Formula | C19H20F15NO3 |
| Exact Mass | 595.120366 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EsaaY1jMWd4 |
|---|---|
| Name | L-Allylglycine, N-pentadecafluorooctanoyl-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 595.120365950 u |
| Formula | C19H20F15NO3 |
| InChI | InChI=1S/C19H20F15NO3/c1-4-6-10(11(36)38-8-5-7-9(2)3)35-12(37)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)34/h4,9-10H,1,5-8H2,2-3H3,(H,35,37) |
| InChIKey | YDQDMIWMPTUQGO-UHFFFAOYSA-N |
| Molecular Weight | 595.349 g/mol |
| SMILES | C(OC(=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)CCC(C)C |