| SpectraBase Compound ID | 9WLfnzF06BU |
|---|---|
| InChI | InChI=1S/C14H15F5O2/c1-6(2)4-5-7(3)21-14(20)8-9(15)11(17)13(19)12(18)10(8)16/h6-7H,4-5H2,1-3H3 |
| InChIKey | AAMBFYFUQYJUTP-UHFFFAOYSA-N |
| Mol Weight | 310.26 g/mol |
| Molecular Formula | C14H15F5O2 |
| Exact Mass | 310.099221 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GQb9tMsn0Hb |
|---|---|
| Name | 5-Methylhexan-2-yl 2,3,4,5,6-pentafluorobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.099220536 u |
| Formula | C14H15F5O2 |
| InChI | InChI=1S/C14H15F5O2/c1-6(2)4-5-7(3)21-14(20)8-9(15)11(17)13(19)12(18)10(8)16/h6-7H,4-5H2,1-3H3 |
| InChIKey | AAMBFYFUQYJUTP-UHFFFAOYSA-N |
| Molecular Weight | 310.264 g/mol |
| SMILES | C(CC(OC(C1=C(C(=C(F)C(=C1F)F)F)F)=O)C)C(C)C |