| SpectraBase Compound ID | FUnINTroE01 |
|---|---|
| InChI | InChI=1S/C14H13F5O2/c1-6-4-2-3-5-7(6)21-14(20)8-9(15)11(17)13(19)12(18)10(8)16/h6-7H,2-5H2,1H3 |
| InChIKey | SIURGDKBXHUUHS-UHFFFAOYSA-N |
| Mol Weight | 308.25 g/mol |
| Molecular Formula | C14H13F5O2 |
| Exact Mass | 308.08357 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | FRmfJFyxzBi |
|---|---|
| Name | 2-Methylcyclohexyl 2,3,4,5,6-pentafluorobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.083570472 u |
| Formula | C14H13F5O2 |
| InChI | InChI=1S/C14H13F5O2/c1-6-4-2-3-5-7(6)21-14(20)8-9(15)11(17)13(19)12(18)10(8)16/h6-7H,2-5H2,1H3 |
| InChIKey | SIURGDKBXHUUHS-UHFFFAOYSA-N |
| Molecular Weight | 308.248 g/mol |
| SMILES | C1CCCC(C1OC(C1=C(C(=C(C(=C1F)F)F)F)F)=O)C |