| SpectraBase Compound ID | Cyfnq2Zanl8 |
|---|---|
| InChI | InChI=1S/C18H16F2O4/c1-11(2)10-23-17(21)12-4-3-5-13(6-12)18(22)24-16-8-14(19)7-15(20)9-16/h3-9,11H,10H2,1-2H3 |
| InChIKey | KUZRLOIEONSDDY-UHFFFAOYSA-N |
| Mol Weight | 334.32 g/mol |
| Molecular Formula | C18H16F2O4 |
| Exact Mass | 334.101665 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Go3cRytMgv1 |
|---|---|
| Name | Isophthalic acid, 3,5-difluorophenyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.101665317 u |
| Formula | C18H16F2O4 |
| InChI | InChI=1S/C18H16F2O4/c1-11(2)10-23-17(21)12-4-3-5-13(6-12)18(22)24-16-8-14(19)7-15(20)9-16/h3-9,11H,10H2,1-2H3 |
| InChIKey | KUZRLOIEONSDDY-UHFFFAOYSA-N |
| Molecular Weight | 334.319 g/mol |
| SMILES | C1=C(C=C(C=C1F)OC(C1=CC(=CC=C1)C(OCC(C)C)=O)=O)F |