| SpectraBase Compound ID | 8IagAdYmfbA |
|---|---|
| InChI | InChI=1S/C28H40F15NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-47-20(45)19(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/h19H,3-18H2,1-2H3,(H,44,46) |
| InChIKey | ZLLBZBSUHMWFEB-UHFFFAOYSA-N |
| Mol Weight | 723.6 g/mol |
| Molecular Formula | C28H40F15NO3 |
| Exact Mass | 723.276867 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BG6ExyfKS7P |
|---|---|
| Name | L-Alanine, N-pentadecafluorooctanoyl-, heptadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 723.276866594 u |
| Formula | C28H40F15NO3 |
| InChI | InChI=1S/C28H40F15NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-47-20(45)19(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/h19H,3-18H2,1-2H3,(H,44,46) |
| InChIKey | ZLLBZBSUHMWFEB-UHFFFAOYSA-N |
| Molecular Weight | 723.608 g/mol |
| SMILES | C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(NC(C(OCCCCCCCCCCCCCCCCC)=O)C)=O)(F)F)(F)F |