| SpectraBase Compound ID | C3ApLBC2YmE |
|---|---|
| InChI | InChI=1S/C17H14F2O4/c1-2-22-16(20)12-5-3-4-6-13(12)17(21)23-10-11-7-8-14(18)15(19)9-11/h3-9H,2,10H2,1H3 |
| InChIKey | JFTWBHAHMMJLEU-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 | 4ZOyrqVn1z3 |
|---|---|
| Name | Phthalic acid, 3,4-difluorobenzyl ethyl 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/c1-2-22-16(20)12-5-3-4-6-13(12)17(21)23-10-11-7-8-14(18)15(19)9-11/h3-9H,2,10H2,1H3 |
| InChIKey | JFTWBHAHMMJLEU-UHFFFAOYSA-N |
| Molecular Weight | 320.292 g/mol |
| SMILES | C1=CC=CC(=C1C(OCC)=O)C(OCC1=CC=C(C(=C1)F)F)=O |