| SpectraBase Compound ID | 6sLH3Mr5Kov |
|---|---|
| InChI | InChI=1S/C22H32F2O4/c1-2-3-4-5-6-7-8-11-14-27-21(25)12-9-10-13-22(26)28-20-16-18(23)15-19(24)17-20/h15-17H,2-14H2,1H3 |
| InChIKey | JYWZDRFFHQXEHA-UHFFFAOYSA-N |
| Mol Weight | 398.5 g/mol |
| Molecular Formula | C22H32F2O4 |
| Exact Mass | 398.226866 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | taKWDGnBp2 |
|---|---|
| Name | Adipic acid, decyl 3,5-difluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 398.226865832 u |
| Formula | C22H32F2O4 |
| InChI | InChI=1S/C22H32F2O4/c1-2-3-4-5-6-7-8-11-14-27-21(25)12-9-10-13-22(26)28-20-16-18(23)15-19(24)17-20/h15-17H,2-14H2,1H3 |
| InChIKey | JYWZDRFFHQXEHA-UHFFFAOYSA-N |
| Molecular Weight | 398.491 g/mol |
| SMILES | C(=O)(CCCCC(OCCCCCCCCCC)=O)OC1=CC(=CC(=C1)F)F |