| SpectraBase Compound ID | Jat6jbZgNq6 |
|---|---|
| InChI | InChI=1S/C17H27F7O2/c1-2-3-4-5-6-7-8-9-10-11-12-14(25)26-13-15(18,19)16(20,21)17(22,23)24/h2-13H2,1H3 |
| InChIKey | NHKVWWLUFGKBPE-UHFFFAOYSA-N |
| Mol Weight | 396.39 g/mol |
| Molecular Formula | C17H27F7O2 |
| Exact Mass | 396.189927 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LXBiZIpuZNL |
|---|---|
| Name | Tridecanoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 396.189927248 u |
| Formula | C17H27F7O2 |
| InChI | InChI=1S/C17H27F7O2/c1-2-3-4-5-6-7-8-9-10-11-12-14(25)26-13-15(18,19)16(20,21)17(22,23)24/h2-13H2,1H3 |
| InChIKey | NHKVWWLUFGKBPE-UHFFFAOYSA-N |
| Molecular Weight | 396.390 g/mol |
| SMILES | C(CCC(=O)OCC(C(C(F)(F)F)(F)F)(F)F)CCCCCCCCC |