| SpectraBase Compound ID | GD8TiMGpr2S |
|---|---|
| InChI | InChI=1S/C16H20F2O4/c1-2-3-4-9-21-15(19)7-8-16(20)22-11-12-5-6-13(17)14(18)10-12/h5-6,10H,2-4,7-9,11H2,1H3 |
| InChIKey | JQFKHHSAHPYXPA-UHFFFAOYSA-N |
| Mol Weight | 314.33 g/mol |
| Molecular Formula | C16H20F2O4 |
| Exact Mass | 314.132965 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1BXTVm3ANso |
|---|---|
| Name | Succinic acid, 3,4-difluorobenzyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.132965446 u |
| Formula | C16H20F2O4 |
| InChI | InChI=1S/C16H20F2O4/c1-2-3-4-9-21-15(19)7-8-16(20)22-11-12-5-6-13(17)14(18)10-12/h5-6,10H,2-4,7-9,11H2,1H3 |
| InChIKey | JQFKHHSAHPYXPA-UHFFFAOYSA-N |
| Molecular Weight | 314.329 g/mol |
| SMILES | C(CCC(OCC1=CC(=C(C=C1)F)F)=O)(OCCCCC)=O |