![Benzene, [(2-chlorophenoxy)methyl]pentafluoro-](/api/spectrum/HIdOBcgqfJk/structure.png?h=300&w=458 "Benzene, [(2-chlorophenoxy)methyl]pentafluoro-")
| SpectraBase Compound ID | 8CsGTuEKiqF |
|---|---|
| InChI | InChI=1S/C13H6ClF5O/c14-7-3-1-2-4-8(7)20-5-6-9(15)11(17)13(19)12(18)10(6)16/h1-4H,5H2 |
| InChIKey | ROJSCQDJBOIUAV-UHFFFAOYSA-N |
| Mol Weight | 308.64 g/mol |
| Molecular Formula | C13H6ClF5O |
| Exact Mass | 308.002733 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HIdOBcgqfJk |
|---|---|
| Name | Benzene, [(2-chlorophenoxy)methyl]pentafluoro- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.002733327 u |
| Formula | C13H6ClF5O |
| InChI | InChI=1S/C13H6ClF5O/c14-7-3-1-2-4-8(7)20-5-6-9(15)11(17)13(19)12(18)10(6)16/h1-4H,5H2 |
| InChIKey | ROJSCQDJBOIUAV-UHFFFAOYSA-N |
| Molecular Weight | 308.635 g/mol |
| SMILES | C1(=C(C(=C(C(=C1COC1=CC=CC=C1Cl)F)F)F)F)F |