| SpectraBase Compound ID | 54OF7cyz8ez |
|---|---|
| InChI | InChI=1S/C24H30F15NO3/c1-3-5-6-7-8-9-10-11-12-14-43-16(41)15(13-4-2)40-17(42)18(25,26)19(27,28)20(29,30)21(31,32)22(33,34)23(35,36)24(37,38)39/h4,15H,2-3,5-14H2,1H3,(H,40,42) |
| InChIKey | MODKXWMQUOAXLY-UHFFFAOYSA-N |
| Mol Weight | 665.48 g/mol |
| Molecular Formula | C24H30F15NO3 |
| Exact Mass | 665.198616 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 33rTOJULDmx |
|---|---|
| Name | L-Allylglycine, N-pentadecafluorooctanoyl-, undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 665.198616272 u |
| Formula | C24H30F15NO3 |
| InChI | InChI=1S/C24H30F15NO3/c1-3-5-6-7-8-9-10-11-12-14-43-16(41)15(13-4-2)40-17(42)18(25,26)19(27,28)20(29,30)21(31,32)22(33,34)23(35,36)24(37,38)39/h4,15H,2-3,5-14H2,1H3,(H,40,42) |
| InChIKey | MODKXWMQUOAXLY-UHFFFAOYSA-N |
| Molecular Weight | 665.484 g/mol |
| SMILES | C(OC(C(NC(=O)C(F)(C(F)(F)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)F)CC=C)=O)CCCCCCCCCC |