| SpectraBase Compound ID | CRz3Ny1r5BI |
|---|---|
| InChI | InChI=1S/C14H13F5O2/c1-14(5-3-2-4-6-14)21-13(20)7-8(15)10(17)12(19)11(18)9(7)16/h2-6H2,1H3 |
| InChIKey | JBAIWHQJZPQRGV-UHFFFAOYSA-N |
| Mol Weight | 308.25 g/mol |
| Molecular Formula | C14H13F5O2 |
| Exact Mass | 308.08357 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5pdUuC853T4 |
|---|---|
| Name | 1-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/c1-14(5-3-2-4-6-14)21-13(20)7-8(15)10(17)12(19)11(18)9(7)16/h2-6H2,1H3 |
| InChIKey | JBAIWHQJZPQRGV-UHFFFAOYSA-N |
| Molecular Weight | 308.248 g/mol |
| SMILES | C1CCCCC1(C)OC(C1=C(C(=C(C(=C1F)F)F)F)F)=O |