| SpectraBase Compound ID | AZoWSqapwh4 |
|---|---|
| InChI | InChI=1S/C14H16F2O4/c1-2-19-13(17)5-3-4-6-14(18)20-12-8-10(15)7-11(16)9-12/h7-9H,2-6H2,1H3 |
| InChIKey | OPTNGKJWKBGPLL-UHFFFAOYSA-N |
| Mol Weight | 286.27 g/mol |
| Molecular Formula | C14H16F2O4 |
| Exact Mass | 286.101665 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AQtiP1ArkIy |
|---|---|
| Name | Adipic acid, 3,5-difluorophenyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.101665317 u |
| Formula | C14H16F2O4 |
| InChI | InChI=1S/C14H16F2O4/c1-2-19-13(17)5-3-4-6-14(18)20-12-8-10(15)7-11(16)9-12/h7-9H,2-6H2,1H3 |
| InChIKey | OPTNGKJWKBGPLL-UHFFFAOYSA-N |
| Molecular Weight | 286.275 g/mol |
| SMILES | C1=C(C=C(C=C1F)OC(=O)CCCCC(OCC)=O)F |