| SpectraBase Compound ID | 8QlyvxO12Wt |
|---|---|
| InChI | InChI=1S/C16H21FO4/c1-3-4-11-20-15(18)9-10-16(19)21-12(2)13-7-5-6-8-14(13)17/h5-8,12H,3-4,9-11H2,1-2H3 |
| InChIKey | RIAIEKIRBOXGDO-UHFFFAOYSA-N |
| Mol Weight | 296.34 g/mol |
| Molecular Formula | C16H21FO4 |
| Exact Mass | 296.142387 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 63dzafmVIAo |
|---|---|
| Name | Succinic acid, butyl 1-(2-fluorophenyl)ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.142387315 u |
| Formula | C16H21FO4 |
| InChI | InChI=1S/C16H21FO4/c1-3-4-11-20-15(18)9-10-16(19)21-12(2)13-7-5-6-8-14(13)17/h5-8,12H,3-4,9-11H2,1-2H3 |
| InChIKey | RIAIEKIRBOXGDO-UHFFFAOYSA-N |
| Molecular Weight | 296.338 g/mol |
| SMILES | C(CCC(OC(C1=CC=CC=C1F)C)=O)(OCCCC)=O |