| SpectraBase Compound ID | 1Ayq66Ku4Pr |
|---|---|
| InChI | InChI=1S/C19H18F2O4/c1-12(2)10-24-18(22)15-5-3-4-6-16(15)19(23)25-11-13-9-14(20)7-8-17(13)21/h3-9,12H,10-11H2,1-2H3 |
| InChIKey | CZSBLLVQSBAMPA-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 | 3wXFLsa5e69 |
|---|---|
| Name | Phthalic acid, 2,5-difluorobenzyl isobutyl 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/c1-12(2)10-24-18(22)15-5-3-4-6-16(15)19(23)25-11-13-9-14(20)7-8-17(13)21/h3-9,12H,10-11H2,1-2H3 |
| InChIKey | CZSBLLVQSBAMPA-UHFFFAOYSA-N |
| Molecular Weight | 348.346 g/mol |
| SMILES | C(C1=CC=CC=C1C(OCC=1C=C(C=CC1F)F)=O)(OCC(C)C)=O |