| SpectraBase Compound ID | 5QZHkBNsLQE |
|---|---|
| InChI | InChI=1S/C19H26F2O4/c1-2-24-18(22)9-7-5-3-4-6-8-10-19(23)25-14-15-13-16(20)11-12-17(15)21/h11-13H,2-10,14H2,1H3 |
| InChIKey | KEMJYKIVYUUBNT-UHFFFAOYSA-N |
| Mol Weight | 356.41 g/mol |
| Molecular Formula | C19H26F2O4 |
| Exact Mass | 356.179916 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DmskxebU9pg |
|---|---|
| Name | Sebacic acid, 2,5-difluorobenzyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.179915639 u |
| Formula | C19H26F2O4 |
| InChI | InChI=1S/C19H26F2O4/c1-2-24-18(22)9-7-5-3-4-6-8-10-19(23)25-14-15-13-16(20)11-12-17(15)21/h11-13H,2-10,14H2,1H3 |
| InChIKey | KEMJYKIVYUUBNT-UHFFFAOYSA-N |
| Molecular Weight | 356.410 g/mol |
| SMILES | C(CCCCCCC(OCC)=O)CC(OCC=1C(F)=CC=C(F)C1)=O |