| SpectraBase Compound ID | AFNeEdGxz1i |
|---|---|
| InChI | InChI=1S/C14H18F2O2/c1-2-3-4-5-6-7-14(17)18-13-9-11(15)8-12(16)10-13/h8-10H,2-7H2,1H3 |
| InChIKey | IXDNQRBMKOJSQV-UHFFFAOYSA-N |
| Mol Weight | 256.29 g/mol |
| Molecular Formula | C14H18F2O2 |
| Exact Mass | 256.127486 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I13bmb2nMTy |
|---|---|
| Name | Octanoic acid, 3,5-difluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.127486144 u |
| Formula | C14H18F2O2 |
| InChI | InChI=1S/C14H18F2O2/c1-2-3-4-5-6-7-14(17)18-13-9-11(15)8-12(16)10-13/h8-10H,2-7H2,1H3 |
| InChIKey | IXDNQRBMKOJSQV-UHFFFAOYSA-N |
| Molecular Weight | 256.293 g/mol |
| SMILES | C(C)CCCCCC(=O)OC1=CC(=CC(=C1)F)F |