| SpectraBase Compound ID | EWuzhVOKXYv |
|---|---|
| InChI | InChI=1S/C12H11F13/c13-7(14,5-4-6-2-1-3-6)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h6H,1-5H2 |
| InChIKey | QQSSTYQTFHHXBV-UHFFFAOYSA-N |
| Mol Weight | 402.2 g/mol |
| Molecular Formula | C12H11F13 |
| Exact Mass | 402.065316 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 22uX6yAQnfa |
|---|---|
| Name | 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecakis(fluoranyl)octylcyclobutane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 402.065316473 u |
| Formula | C12H11F13 |
| InChI | InChI=1S/C12H11F13/c13-7(14,5-4-6-2-1-3-6)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h6H,1-5H2 |
| InChIKey | QQSSTYQTFHHXBV-UHFFFAOYSA-N |
| Molecular Weight | 402.199 g/mol |
| SMILES | C(C(C(C(C(C(CCC1CCC1)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)F |