| SpectraBase Compound ID | 1JpynO6qGKW |
|---|---|
| InChI | InChI=1S/C11H13FO2/c1-8(7-11(13)14-2)9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3 |
| InChIKey | BHMORYYPEXXZFS-UHFFFAOYSA-N |
| Mol Weight | 196.22 g/mol |
| Molecular Formula | C11H13FO2 |
| Exact Mass | 196.089958 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FSje8chj2kW |
|---|---|
| Name | 3-(4-Fluorophenyl)butanoic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.089957820 u |
| Formula | C11H13FO2 |
| InChI | InChI=1S/C11H13FO2/c1-8(7-11(13)14-2)9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3 |
| InChIKey | BHMORYYPEXXZFS-UHFFFAOYSA-N |
| Molecular Weight | 196.221 g/mol |
| SMILES | C1(F)=CC=C(C=C1)C(CC(=O)OC)C |