| SpectraBase Compound ID | A6Q1KzBKVxK |
|---|---|
| InChI | InChI=1S/C18H16F2O4/c19-13-5-3-7-15(11-13)23-17(21)9-1-2-10-18(22)24-16-8-4-6-14(20)12-16/h3-8,11-12H,1-2,9-10H2 |
| InChIKey | YTGPVGNBPQPBPD-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 | 5jVz2CVdG1n |
|---|---|
| Name | Adipic acid, di(3-fluorophenyl) 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/c19-13-5-3-7-15(11-13)23-17(21)9-1-2-10-18(22)24-16-8-4-6-14(20)12-16/h3-8,11-12H,1-2,9-10H2 |
| InChIKey | YTGPVGNBPQPBPD-UHFFFAOYSA-N |
| Molecular Weight | 334.319 g/mol |
| SMILES | C1(=CC(=CC=C1)F)OC(=O)CCCCC(OC1=CC=CC(=C1)F)=O |