| SpectraBase Compound ID | ClArcYrCZUa |
|---|---|
| InChI | InChI=1S/C17H14F2O4/c1-2-7-22-16(20)14-5-3-4-6-15(14)17(21)23-13-9-11(18)8-12(19)10-13/h3-6,8-10H,2,7H2,1H3 |
| InChIKey | RJLIBAVWCLIBEB-UHFFFAOYSA-N |
| Mol Weight | 320.29 g/mol |
| Molecular Formula | C17H14F2O4 |
| Exact Mass | 320.086015 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ExOQVEfx0LE |
|---|---|
| Name | Phthalic acid, 3,5-difluorophenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.086015253 u |
| Formula | C17H14F2O4 |
| InChI | InChI=1S/C17H14F2O4/c1-2-7-22-16(20)14-5-3-4-6-15(14)17(21)23-13-9-11(18)8-12(19)10-13/h3-6,8-10H,2,7H2,1H3 |
| InChIKey | RJLIBAVWCLIBEB-UHFFFAOYSA-N |
| Molecular Weight | 320.292 g/mol |
| SMILES | C1=C(C=C(C=C1F)F)OC(C1=C(C=CC=C1)C(OCCC)=O)=O |