| SpectraBase Compound ID | L5XiYjJbLa9 |
|---|---|
| InChI | InChI=1S/C18H17FO4/c1-2-3-12-22-17(20)13-8-4-5-9-14(13)18(21)23-16-11-7-6-10-15(16)19/h4-11H,2-3,12H2,1H3 |
| InChIKey | RVTASIZWSUNKJB-UHFFFAOYSA-N |
| Mol Weight | 316.33 g/mol |
| Molecular Formula | C18H17FO4 |
| Exact Mass | 316.111087 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 56gRCfdD3yx |
|---|---|
| Name | Phthalic acid, butyl 2-fluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.111087186 u |
| Formula | C18H17FO4 |
| InChI | InChI=1S/C18H17FO4/c1-2-3-12-22-17(20)13-8-4-5-9-14(13)18(21)23-16-11-7-6-10-15(16)19/h4-11H,2-3,12H2,1H3 |
| InChIKey | RVTASIZWSUNKJB-UHFFFAOYSA-N |
| Molecular Weight | 316.328 g/mol |
| SMILES | C1(=CC=CC=C1C(OCCCC)=O)C(OC1=CC=CC=C1F)=O |