| SpectraBase Compound ID | 9Iz0BuERBOU |
|---|---|
| InChI | InChI=1S/C13H14F2O4/c1-2-18-12(16)5-6-13(17)19-8-9-7-10(14)3-4-11(9)15/h3-4,7H,2,5-6,8H2,1H3 |
| InChIKey | XDBVGUZHWZZBPV-UHFFFAOYSA-N |
| Mol Weight | 272.25 g/mol |
| Molecular Formula | C13H14F2O4 |
| Exact Mass | 272.086015 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6VTY2kE73Ba |
|---|---|
| Name | Succinic acid, 2,5-difluorobenzyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.086015253 u |
| Formula | C13H14F2O4 |
| InChI | InChI=1S/C13H14F2O4/c1-2-18-12(16)5-6-13(17)19-8-9-7-10(14)3-4-11(9)15/h3-4,7H,2,5-6,8H2,1H3 |
| InChIKey | XDBVGUZHWZZBPV-UHFFFAOYSA-N |
| Molecular Weight | 272.248 g/mol |
| SMILES | C(CCC(OCC=1C(F)=CC=C(F)C1)=O)(OCC)=O |