| SpectraBase Compound ID | KJR3gkVujKW |
|---|---|
| InChI | InChI=1S/C19H31F7O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-28-16(27)17(20,21)18(22,23)19(24,25)26/h2-15H2,1H3 |
| InChIKey | LSNYOOKRVAXMSQ-UHFFFAOYSA-N |
| Mol Weight | 424.44 g/mol |
| Molecular Formula | C19H31F7O2 |
| Exact Mass | 424.221227 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GrGpvVc8WBA |
|---|---|
| Name | Heptafluorobutyric acid, pentadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 424.221227377 u |
| Formula | C19H31F7O2 |
| InChI | InChI=1S/C19H31F7O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-28-16(27)17(20,21)18(22,23)19(24,25)26/h2-15H2,1H3 |
| InChIKey | LSNYOOKRVAXMSQ-UHFFFAOYSA-N |
| Molecular Weight | 424.444 g/mol |
| SMILES | C(C(C(=O)OCCCCCCCCCCCCCCC)(F)F)(C(F)(F)F)(F)F |