| SpectraBase Compound ID | B2APXSpHKZU |
|---|---|
| InChI | InChI=1S/C28H38F15NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-47-20(45)19(17-4-2)44-21(46)22(29,30)23(31,32)24(33,34)25(35,36)26(37,38)27(39,40)28(41,42)43/h4,19H,2-3,5-18H2,1H3,(H,44,46) |
| InChIKey | KZDSVQKVORWQNB-UHFFFAOYSA-N |
| Mol Weight | 721.6 g/mol |
| Molecular Formula | C28H38F15NO3 |
| Exact Mass | 721.261217 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Be6ALQi6osq |
|---|---|
| Name | D-Allylglycine, N-pentadecafluorooctanoyl-, pentadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 721.261216530 u |
| Formula | C28H38F15NO3 |
| InChI | InChI=1S/C28H38F15NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-47-20(45)19(17-4-2)44-21(46)22(29,30)23(31,32)24(33,34)25(35,36)26(37,38)27(39,40)28(41,42)43/h4,19H,2-3,5-18H2,1H3,(H,44,46) |
| InChIKey | KZDSVQKVORWQNB-UHFFFAOYSA-N |
| Molecular Weight | 721.592 g/mol |
| SMILES | CCCCCCCCCCCCCCCOC(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 |