| SpectraBase Compound ID | BBHqs0pLXM1 |
|---|---|
| InChI | InChI=1S/C14H14BrF5O2/c15-6-4-2-1-3-5-7-22-14(21)8-9(16)11(18)13(20)12(19)10(8)17/h1-7H2 |
| InChIKey | ZURGGRLSECNFIL-UHFFFAOYSA-N |
| Mol Weight | 389.16 g/mol |
| Molecular Formula | C14H14BrF5O2 |
| Exact Mass | 388.009734 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KesxRbTh6wv |
|---|---|
| Name | 7-Bromoheptyl 2,3,4,5,6-pentafluorobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 388.009733504 u |
| Formula | C14H14BrF5O2 |
| InChI | InChI=1S/C14H14BrF5O2/c15-6-4-2-1-3-5-7-22-14(21)8-9(16)11(18)13(20)12(19)10(8)17/h1-7H2 |
| InChIKey | ZURGGRLSECNFIL-UHFFFAOYSA-N |
| Molecular Weight | 389.160 g/mol |
| SMILES | C(Br)CCCCCCOC(C1=C(C(=C(F)C(=C1F)F)F)F)=O |