![4-[1'-(7"-Fluoropyrenyl)]butanoic Acid](/api/spectrum/GYpacmdmd60/structure.png?h=300&w=458 "4-[1'-(7\"-Fluoropyrenyl)]butanoic Acid")
| SpectraBase Compound ID | 2xlsPK27N73 |
|---|---|
| InChI | InChI=1S/C20H15FO2/c21-16-10-14-7-6-13-5-4-12(2-1-3-18(22)23)17-9-8-15(11-16)19(14)20(13)17/h4-11H,1-3H2,(H,22,23) |
| InChIKey | YROUUHZBAXUJSV-UHFFFAOYSA-N |
| Mol Weight | 306.34 g/mol |
| Molecular Formula | C20H15FO2 |
| Exact Mass | 306.105608 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GYpacmdmd60 |
|---|---|
| Name | 4-[1'-(7""""-Fluoropyrenyl)]butanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.105607884 u |
| Formula | C20H15FO2 |
| InChI | InChI=1S/C20H15FO2/c21-16-10-14-7-6-13-5-4-12(2-1-3-18(22)23)17-9-8-15(11-16)19(14)20(13)17/h4-11H,1-3H2,(H,22,23) |
| InChIKey | YROUUHZBAXUJSV-UHFFFAOYSA-N |
| Molecular Weight | 306.336 g/mol |
| SMILES | C1=2C3=C4C=C(C=C3C=CC1=CC=C(C2C=C4)CCCC(=O)O)F |