| SpectraBase Compound ID | KvDSA9fiK2N |
|---|---|
| InChI | InChI=1S/C20H22F15NO3/c1-3-5-6-7-8-10-39-12(37)11(9-4-2)36-13(38)14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)19(31,32)20(33,34)35/h4,11H,2-3,5-10H2,1H3,(H,36,38) |
| InChIKey | KGGDUQCPIQUZFO-UHFFFAOYSA-N |
| Mol Weight | 609.38 g/mol |
| Molecular Formula | C20H22F15NO3 |
| Exact Mass | 609.136016 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 24KiEOUgaTZ |
|---|---|
| Name | D-Allylglycine, N-pentadecafluorooctanoyl-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 609.136016014 u |
| Formula | C20H22F15NO3 |
| InChI | InChI=1S/C20H22F15NO3/c1-3-5-6-7-8-10-39-12(37)11(9-4-2)36-13(38)14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)19(31,32)20(33,34)35/h4,11H,2-3,5-10H2,1H3,(H,36,38) |
| InChIKey | KGGDUQCPIQUZFO-UHFFFAOYSA-N |
| Molecular Weight | 609.376 g/mol |
| SMILES | CCCCCCCOC(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 |