| SpectraBase Compound ID | 7p3DUe1ksB9 |
|---|---|
| InChI | InChI=1S/C17H17FO2/c1-2-3-5-13-8-10-14(11-9-13)17(19)20-16-7-4-6-15(18)12-16/h4,6-12H,2-3,5H2,1H3 |
| InChIKey | ARDMINKZYBQZBJ-UHFFFAOYSA-N |
| Mol Weight | 272.32 g/mol |
| Molecular Formula | C17H17FO2 |
| Exact Mass | 272.121258 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JEVRV5BtpbX |
|---|---|
| Name | 4-Butylbenzoic acid, 3-fluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.121257948 u |
| Formula | C17H17FO2 |
| InChI | InChI=1S/C17H17FO2/c1-2-3-5-13-8-10-14(11-9-13)17(19)20-16-7-4-6-15(18)12-16/h4,6-12H,2-3,5H2,1H3 |
| InChIKey | ARDMINKZYBQZBJ-UHFFFAOYSA-N |
| Molecular Weight | 272.319 g/mol |
| SMILES | C(C1=CC=C(C=C1)CCCC)(OC1=CC=CC(=C1)F)=O |