| SpectraBase Compound ID | 20fuTHAvH45 |
|---|---|
| InChI | InChI=1S/C18H24F2O4/c1-13(2)6-5-9-23-17(21)7-3-4-8-18(22)24-16-11-14(19)10-15(20)12-16/h10-13H,3-9H2,1-2H3 |
| InChIKey | WBMZXGWIJBUXBA-UHFFFAOYSA-N |
| Mol Weight | 342.38 g/mol |
| Molecular Formula | C18H24F2O4 |
| Exact Mass | 342.164266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BYojcDurABK |
|---|---|
| Name | Adipic acid, 3,5-difluorophenyl isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.164265575 u |
| Formula | C18H24F2O4 |
| InChI | InChI=1S/C18H24F2O4/c1-13(2)6-5-9-23-17(21)7-3-4-8-18(22)24-16-11-14(19)10-15(20)12-16/h10-13H,3-9H2,1-2H3 |
| InChIKey | WBMZXGWIJBUXBA-UHFFFAOYSA-N |
| Molecular Weight | 342.383 g/mol |
| SMILES | C(=O)(CCCCC(OCCCC(C)C)=O)OC1=CC(=CC(=C1)F)F |