| SpectraBase Compound ID | A7HWFDN9Ysn |
|---|---|
| InChI | InChI=1S/C19H18F2O4/c20-14-8-4-6-10-16(14)24-18(22)12-2-1-3-13-19(23)25-17-11-7-5-9-15(17)21/h4-11H,1-3,12-13H2 |
| InChIKey | STWOQZZWYQZZCR-UHFFFAOYSA-N |
| Mol Weight | 348.35 g/mol |
| Molecular Formula | C19H18F2O4 |
| Exact Mass | 348.117315 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DGSrYdxLDYu |
|---|---|
| Name | Pimelic acid, di(2-fluorophenyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.117315382 u |
| Formula | C19H18F2O4 |
| InChI | InChI=1S/C19H18F2O4/c20-14-8-4-6-10-16(14)24-18(22)12-2-1-3-13-19(23)25-17-11-7-5-9-15(17)21/h4-11H,1-3,12-13H2 |
| InChIKey | STWOQZZWYQZZCR-UHFFFAOYSA-N |
| Molecular Weight | 348.346 g/mol |
| SMILES | C(CCCC(OC1=C(C=CC=C1)F)=O)CC(OC=1C=CC=CC1F)=O |