| SpectraBase Compound ID | EjhYccD578v |
|---|---|
| InChI | InChI=1S/C29H40F15NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-48-21(46)20(18-4-2)45-22(47)23(30,31)24(32,33)25(34,35)26(36,37)27(38,39)28(40,41)29(42,43)44/h4,20H,2-3,5-19H2,1H3,(H,45,47) |
| InChIKey | PEFUQGROMRRUKL-UHFFFAOYSA-N |
| Mol Weight | 735.6 g/mol |
| Molecular Formula | C29H40F15NO3 |
| Exact Mass | 735.276867 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7j3BRALJI4w |
|---|---|
| Name | D-Allylglycine, N-pentadecafluorooctanoyl-, hexadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 735.276866594 u |
| Formula | C29H40F15NO3 |
| InChI | InChI=1S/C29H40F15NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-48-21(46)20(18-4-2)45-22(47)23(30,31)24(32,33)25(34,35)26(36,37)27(38,39)28(40,41)29(42,43)44/h4,20H,2-3,5-19H2,1H3,(H,45,47) |
| InChIKey | PEFUQGROMRRUKL-UHFFFAOYSA-N |
| Molecular Weight | 735.619 g/mol |
| SMILES | CCCCCCCCCCCCCCCCOC(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)CC=C)=O |