| SpectraBase Compound ID | G5x8eVQb8rC |
|---|---|
| InChI | InChI=1S/C16H20F2O4/c1-3-4-10-21-14(19)8-9-15(20)22-11(2)16-12(17)6-5-7-13(16)18/h5-7,11H,3-4,8-10H2,1-2H3 |
| InChIKey | VCAUPRVXVAOJTH-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 | K3oQx5cSrpv |
|---|---|
| Name | Succinic acid, butyl 1-(2,6-difluorophenyl)ethyl 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/c1-3-4-10-21-14(19)8-9-15(20)22-11(2)16-12(17)6-5-7-13(16)18/h5-7,11H,3-4,8-10H2,1-2H3 |
| InChIKey | VCAUPRVXVAOJTH-UHFFFAOYSA-N |
| Molecular Weight | 314.329 g/mol |
| SMILES | C(CCC(OC(C1=C(C=CC=C1F)F)C)=O)(OCCCC)=O |