| SpectraBase Compound ID | 2mc3crRBFp0 |
|---|---|
| InChI | InChI=1S/C16H14F2O2/c17-13-9-4-10-14(18)15(13)16(19)20-11-5-8-12-6-2-1-3-7-12/h1-4,6-7,9-10H,5,8,11H2 |
| InChIKey | NYVQJVZUCQQUHM-UHFFFAOYSA-N |
| Mol Weight | 276.28 g/mol |
| Molecular Formula | C16H14F2O2 |
| Exact Mass | 276.096186 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4qMIoLjZJgz |
|---|---|
| Name | 2,6-Difluorobenzoic acid, 3-phenylpropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.096186015 u |
| Formula | C16H14F2O2 |
| InChI | InChI=1S/C16H14F2O2/c17-13-9-4-10-14(18)15(13)16(19)20-11-5-8-12-6-2-1-3-7-12/h1-4,6-7,9-10H,5,8,11H2 |
| InChIKey | NYVQJVZUCQQUHM-UHFFFAOYSA-N |
| Molecular Weight | 276.283 g/mol |
| SMILES | C1(=CC=CC=C1)CCCOC(C1=C(C=CC=C1F)F)=O |