| SpectraBase Compound ID | EA0jbS1zVXT |
|---|---|
| InChI | InChI=1S/C22H26F15NO3/c1-3-5-6-7-8-9-10-12-41-14(39)13(11-4-2)38-15(40)16(23,24)17(25,26)18(27,28)19(29,30)20(31,32)21(33,34)22(35,36)37/h4,13H,2-3,5-12H2,1H3,(H,38,40) |
| InChIKey | RSQWZWYKPCFJDK-UHFFFAOYSA-N |
| Mol Weight | 637.43 g/mol |
| Molecular Formula | C22H26F15NO3 |
| Exact Mass | 637.167316 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hft7939bU82 |
|---|---|
| Name | D-Allylglycine, N-pentadecafluorooctanoyl-, nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 637.167316143 u |
| Formula | C22H26F15NO3 |
| InChI | InChI=1S/C22H26F15NO3/c1-3-5-6-7-8-9-10-12-41-14(39)13(11-4-2)38-15(40)16(23,24)17(25,26)18(27,28)19(29,30)20(31,32)21(33,34)22(35,36)37/h4,13H,2-3,5-12H2,1H3,(H,38,40) |
| InChIKey | RSQWZWYKPCFJDK-UHFFFAOYSA-N |
| Molecular Weight | 637.430 g/mol |
| SMILES | CCCCCCCCCOC(=O)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 |