| SpectraBase Compound ID | KcR4eCPihA9 |
|---|---|
| InChI | InChI=1S/C18H16F2O4/c1-11(2)10-23-17(21)12-3-5-13(6-4-12)18(22)24-16-8-14(19)7-15(20)9-16/h3-9,11H,10H2,1-2H3 |
| InChIKey | XJJCSRWVUGRTTE-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 | K5FC6k34vzJ |
|---|---|
| Name | Terephthalic 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)12-3-5-13(6-4-12)18(22)24-16-8-14(19)7-15(20)9-16/h3-9,11H,10H2,1-2H3 |
| InChIKey | XJJCSRWVUGRTTE-UHFFFAOYSA-N |
| Molecular Weight | 334.319 g/mol |
| SMILES | C(OC(=O)C1=CC=C(C=C1)C(=O)OC1=CC(=CC(=C1)F)F)C(C)C |