| SpectraBase Compound ID | GpTsOTd5zVS |
|---|---|
| InChI | InChI=1S/C14H15F5O2/c1-2-3-4-5-6-7-21-14(20)8-9(15)11(17)13(19)12(18)10(8)16/h2-7H2,1H3 |
| InChIKey | OXDIHQFKUKTZOU-UHFFFAOYSA-N |
| Mol Weight | 310.26 g/mol |
| Molecular Formula | C14H15F5O2 |
| Exact Mass | 310.099221 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HHSbFuh2wcd |
|---|---|
| Name | Heptyl 2,3,4,5,6-pentafluorobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.099220536 u |
| Formula | C14H15F5O2 |
| InChI | InChI=1S/C14H15F5O2/c1-2-3-4-5-6-7-21-14(20)8-9(15)11(17)13(19)12(18)10(8)16/h2-7H2,1H3 |
| InChIKey | OXDIHQFKUKTZOU-UHFFFAOYSA-N |
| Molecular Weight | 310.264 g/mol |
| SMILES | C(=O)(C1=C(C(=C(C(=C1F)F)F)F)F)OCCCCCCC |