| SpectraBase Compound ID | KuTt0wURZz7 |
|---|---|
| InChI | InChI=1S/C19H18F2O4/c1-3-6-12(2)24-18(22)16-7-4-5-8-17(16)19(23)25-15-10-13(20)9-14(21)11-15/h4-5,7-12H,3,6H2,1-2H3 |
| InChIKey | MDYQMDYJPXJLDN-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 | CGJMK5emx4L |
|---|---|
| Name | Phthalic acid, 3,5-difluorophenyl 2-pentyl 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/c1-3-6-12(2)24-18(22)16-7-4-5-8-17(16)19(23)25-15-10-13(20)9-14(21)11-15/h4-5,7-12H,3,6H2,1-2H3 |
| InChIKey | MDYQMDYJPXJLDN-UHFFFAOYSA-N |
| Molecular Weight | 348.346 g/mol |
| SMILES | C1(=C(C=CC=C1)C(OC(CCC)C)=O)C(OC1=CC(=CC(=C1)F)F)=O |