| SpectraBase Compound ID | gXveBDZPdI |
|---|---|
| InChI | InChI=1S/C19H20F15NO3/c1-3-5-6-7-9-38-11(36)10(8-4-2)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/h4,10H,2-3,5-9H2,1H3,(H,35,37) |
| InChIKey | GHRUUFFWYWWSFH-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 | J8xKOOLYoix |
|---|---|
| Name | D-Allylglycine, N-pentadecafluoroocranoyl-, hexyl 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/c1-3-5-6-7-9-38-11(36)10(8-4-2)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/h4,10H,2-3,5-9H2,1H3,(H,35,37) |
| InChIKey | GHRUUFFWYWWSFH-UHFFFAOYSA-N |
| Molecular Weight | 595.349 g/mol |
| SMILES | CCCCCCOC(=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 |