| SpectraBase Compound ID | 9QwwNz6crrs |
|---|---|
| InChI | InChI=1S/C19H18F2O4/c1-2-3-10-24-18(22)14-5-7-15(8-6-14)19(23)25-12-13-4-9-16(20)17(21)11-13/h4-9,11H,2-3,10,12H2,1H3 |
| InChIKey | KKMLTIQRXMUOBI-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 | 2agcAxbTgmh |
|---|---|
| Name | Terephthalic acid, butyl 3,4-difluorobenzyl 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/c1-2-3-10-24-18(22)14-5-7-15(8-6-14)19(23)25-12-13-4-9-16(20)17(21)11-13/h4-9,11H,2-3,10,12H2,1H3 |
| InChIKey | KKMLTIQRXMUOBI-UHFFFAOYSA-N |
| Molecular Weight | 348.346 g/mol |
| SMILES | C1=CC(=CC=C1C(OCC1=CC=C(C(=C1)F)F)=O)C(OCCCC)=O |