| SpectraBase Compound ID | Ez4LPq6HeWn |
|---|---|
| InChI | InChI=1S/C20H28F2O4/c1-2-3-4-5-6-7-13-25-19(23)9-8-10-20(24)26-15-16-14-17(21)11-12-18(16)22/h11-12,14H,2-10,13,15H2,1H3 |
| InChIKey | VLFKABDXEFXMIG-UHFFFAOYSA-N |
| Mol Weight | 370.44 g/mol |
| Molecular Formula | C20H28F2O4 |
| Exact Mass | 370.195566 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B3riJhcjWYT |
|---|---|
| Name | Glutaric acid, 2,5-difluorobenzyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 370.195565704 u |
| Formula | C20H28F2O4 |
| InChI | InChI=1S/C20H28F2O4/c1-2-3-4-5-6-7-13-25-19(23)9-8-10-20(24)26-15-16-14-17(21)11-12-18(16)22/h11-12,14H,2-10,13,15H2,1H3 |
| InChIKey | VLFKABDXEFXMIG-UHFFFAOYSA-N |
| Molecular Weight | 370.437 g/mol |
| SMILES | C(OCC1=C(C=CC(=C1)F)F)(=O)CCCC(OCCCCCCCC)=O |