| SpectraBase Compound ID | 1IHQ465TARw |
|---|---|
| InChI | InChI=1S/C18H17F5/c1-2-3-4-5-6-11-7-9-12(10-8-11)13-14(19)16(21)18(23)17(22)15(13)20/h7-10H,2-6H2,1H3 |
| InChIKey | CLMWZGRNXMGYFG-UHFFFAOYSA-N |
| Mol Weight | 328.33 g/mol |
| Molecular Formula | C18H17F5 |
| Exact Mass | 328.125041 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BU8iyhqb40K |
|---|---|
| Name | 1,2,3,4,5-Pentafluoro-6-(4-hexylphenyl)benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.125041362 u |
| Formula | C18H17F5 |
| InChI | InChI=1S/C18H17F5/c1-2-3-4-5-6-11-7-9-12(10-8-11)13-14(19)16(21)18(23)17(22)15(13)20/h7-10H,2-6H2,1H3 |
| InChIKey | CLMWZGRNXMGYFG-UHFFFAOYSA-N |
| Molecular Weight | 328.326 g/mol |
| SMILES | C=1(C(=C(F)C(=C(C1F)F)F)F)C1=CC=C(C=C1)CCCCCC |