| SpectraBase Compound ID | 1nqhdOVhqha |
|---|---|
| InChI | InChI=1S/C19H26F2O4/c1-2-3-4-5-6-12-24-18(22)8-7-9-19(23)25-14-15-10-11-16(20)17(21)13-15/h10-11,13H,2-9,12,14H2,1H3 |
| InChIKey | ANBNESPJMFZTFR-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 | 9QivI4QdjF9 |
|---|---|
| Name | Glutaric acid, 3,4-difluorobenzyl heptyl 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/c1-2-3-4-5-6-12-24-18(22)8-7-9-19(23)25-14-15-10-11-16(20)17(21)13-15/h10-11,13H,2-9,12,14H2,1H3 |
| InChIKey | ANBNESPJMFZTFR-UHFFFAOYSA-N |
| Molecular Weight | 356.410 g/mol |
| SMILES | C(OCC1=CC(=C(C=C1)F)F)(=O)CCCC(OCCCCCCC)=O |